5-(3-aminopropyl)pyridin-2-amine;N-[3-(6-amino-3-pyridinyl)propyl]-2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxamide;N-[3-(6-amino-3-pyridinyl)propyl]-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide;5-bromopyridin-2-amine;tert-butyl N-[3-(6-amino-3-pyridinyl)propyl]carbamate;tert-butyl N-prop-2-enylcarbamate;3-(4-fluorophenyl)-2-oxo-1H-quinoxaline-6-carboxylic acid;morpholine

C103H118BrClF3N23O11 — CID 161131643

IUPAC5-(3-aminopropyl)pyridin-2-amine;N-[3-(6-amino-3-pyridinyl)propyl]-2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxamide;N-[3-(6-amino-3-pyridinyl)propyl]-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide;5-bromopyridin-2-amine;tert-butyl N-[3-(6-amino-3-pyridinyl)propyl]carbamate;tert-butyl N-prop-2-enylcarbamate;3-(4-fluorophenyl)-2-oxo-1H-quinoxaline-6-carboxylic acid;morpholine
SMILESC1COCCN1.C=CCNC(=O)OC(C)(C)C.CC(C)(C)OC(=O)NCCCc1ccc(N)nc1.NCCCc1ccc(N)nc1.Nc1ccc(Br)cn1.Nc1ccc(CCCNC(=O)c2ccc3nc(Cl)c(-c4ccc(F)cc4)nc3c2)cn1.Nc1ccc(CCCNC(=O)c2ccc3nc(N4CCOCC4)c(-c4ccc(F)cc4)nc3c2)cn1.O=C(O)c1ccc2[nH]c(=O)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C27H27FN6O2.C23H19ClFN5O.C15H9FN2O3.C13H21N3O2.C8H13N3.C8H15NO2.C5H5BrN2.C4H9NO/c28-21-7-4-19(5-8-21)25-26(34-12-14-36-15-13-34)33-22-9-6-20(16-23(22)32-25)27(35)30-11-1-2-18-3-10-24(29)31-17-18;24-22-21(15-4-7-17(25)8-5-15)29-19-12-16(6-9-18(19)30-22)23(31)27-11-1-2-14-3-10-20(26)28-13-14;16-10-4-1-8(2-5-10)13-14(19)18-11-6-3-9(15(20)21)7-12(11)17-13;1-13(2,3)18-12(17)15-8-4-5-10-6-7-11(14)16-9-10;9-5-1-2-7-3-4-8(10)11-6-7;1-5-6-9-7(10)11-8(2,3)4;6-4-1-2-5(7)8-3-4;1-3-6-4-2-5-1/h3-10,16-17H,1-2,11-15H2,(H2,29,31)(H,30,35);3-10,12-13H,1-2,11H2,(H2,26,28)(H,27,31);1-7H,(H,18,19)(H,20,21);6-7,9H,4-5,8H2,1-3H3,(H2,14,16)(H,15,17);3-4,6H,1-2,5,9H2,(H2,10,11);5H,1,6H2,2-4H3,(H,9,10);1-3H,(H2,7,8);5H,1-4H2
InChIKeyUMGPSSLYOAATCX-UHFFFAOYSA-N
MW2026.58 g/mol
LogP15.87
Rot. Bonds24

About 5-(3-aminopropyl)pyridin-2-amine;N-[3-(6-amino-3-pyridinyl)propyl]-2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxamide;N-[3-(6-amino-3-pyridinyl)propyl]-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide;5-bromopyridin-2-amine;tert-butyl N-[3-(6-amino-3-pyridinyl)propyl]carbamate;tert-butyl N-prop-2-enylcarbamate;3-(4-fluorophenyl)-2-oxo-1H-quinoxaline-6-carboxylic acid;morpholine

5-(3-aminopropyl)pyridin-2-amine;N-[3-(6-amino-3-pyridinyl)propyl]-2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxamide;N-[3-(6-amino-3-pyridinyl)propyl]-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide;5-bromopyridin-2-amine;tert-butyl N-[3-(6-amino-3-pyridinyl)propyl]carbamate;tert-butyl N-prop-2-enylcarbamate;3-(4-fluorophenyl)-2-oxo-1H-quinoxaline-6-carboxylic acid;morpholine (PubChem CID 161131643) has the molecular formula C103H118BrClF3N23O11 and a molecular weight of 2026.58 g/mol. Its IUPAC name is 5-(3-aminopropyl)pyridin-2-amine;N-[3-(6-amino-3-pyridinyl)propyl]-2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxamide;N-[3-(6-amino-3-pyridinyl)propyl]-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide;5-bromopyridin-2-amine;tert-butyl N-[3-(6-amino-3-pyridinyl)propyl]carbamate;tert-butyl N-prop-2-enylcarbamate;3-(4-fluorophenyl)-2-oxo-1H-quinoxaline-6-carboxylic acid;morpholine.

Molecular Properties

Compound Name5-(3-aminopropyl)pyridin-2-amine;N-[3-(6-amino-3-pyridinyl)propyl]-2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxamide;N-[3-(6-amino-3-pyridinyl)propyl]-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide;5-bromopyridin-2-amine;tert-butyl N-[3-(6-amino-3-pyridinyl)propyl]carbamate;tert-butyl N-prop-2-enylcarbamate;3-(4-fluorophenyl)-2-oxo-1H-quinoxaline-6-carboxylic acid;morpholine
PubChem CID161131643
Molecular FormulaC103H118BrClF3N23O11
Molecular Weight2026.58 g/mol
Exact Mass2023.82
IUPAC Name5-(3-aminopropyl)pyridin-2-amine;N-[3-(6-amino-3-pyridinyl)propyl]-2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxamide;N-[3-(6-amino-3-pyridinyl)propyl]-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide;5-bromopyridin-2-amine;tert-butyl N-[3-(6-amino-3-pyridinyl)propyl]carbamate;tert-butyl N-prop-2-enylcarbamate;3-(4-fluorophenyl)-2-oxo-1H-quinoxaline-6-carboxylic acid;morpholine
SMILESC1COCCN1.C=CCNC(=O)OC(C)(C)C.CC(C)(C)OC(=O)NCCCc1ccc(N)nc1.NCCCc1ccc(N)nc1.Nc1ccc(Br)cn1.Nc1ccc(CCCNC(=O)c2ccc3nc(Cl)c(-c4ccc(F)cc4)nc3c2)cn1.Nc1ccc(CCCNC(=O)c2ccc3nc(N4CCOCC4)c(-c4ccc(F)cc4)nc3c2)cn1.O=C(O)c1ccc2[nH]c(=O)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C27H27FN6O2.C23H19ClFN5O.C15H9FN2O3.C13H21N3O2.C8H13N3.C8H15NO2.C5H5BrN2.C4H9NO/c28-21-7-4-19(5-8-21)25-26(34-12-14-36-15-13-34)33-22-9-6-20(16-23(22)32-25)27(35)30-11-1-2-18-3-10-24(29)31-17-18;24-22-21(15-4-7-17(25)8-5-15)29-19-12-16(6-9-18(19)30-22)23(31)27-11-1-2-14-3-10-20(26)28-13-14;16-10-4-1-8(2-5-10)13-14(19)18-11-6-3-9(15(20)21)7-12(11)17-13;1-13(2,3)18-12(17)15-8-4-5-10-6-7-11(14)16-9-10;9-5-1-2-7-3-4-8(10)11-6-7;1-5-6-9-7(10)11-8(2,3)4;6-4-1-2-5(7)8-3-4;1-3-6-4-2-5-1/h3-10,16-17H,1-2,11-15H2,(H2,29,31)(H,30,35);3-10,12-13H,1-2,11H2,(H2,26,28)(H,27,31);1-7H,(H,18,19)(H,20,21);6-7,9H,4-5,8H2,1-3H3,(H2,14,16)(H,15,17);3-4,6H,1-2,5,9H2,(H2,10,11);5H,1,6H2,2-4H3,(H,9,10);1-3H,(H2,7,8);5H,1-4H2
InChIKeyUMGPSSLYOAATCX-UHFFFAOYSA-N
XLogP15.87
TPSA523.77 Ų
H-Bond Donors13
H-Bond Acceptors28
Rotatable Bonds24
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002026.58
LogP ≤ 515.87
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-(3-aminopropyl)pyridin-2-amine;N-[3-(6-amino-3-pyridinyl)propyl]-2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxamide;N-[3-(6-amino-3-pyridinyl)propyl]-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide;5-bromopyridin-2-amine;tert-butyl N-[3-(6-amino-3-pyridinyl)propyl]carbamate;tert-butyl N-prop-2-enylcarbamate;3-(4-fluorophenyl)-2-oxo-1H-quinoxaline-6-carboxylic acid;morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)pyridin-2-amine;N-[3-(6-amino-3-pyridinyl)propyl]-2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxamide;N-[3-(6-amino-3-pyridinyl)propyl]-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide;5-bromopyridin-2-amine;tert-butyl N-[3-(6-amino-3-pyridinyl)propyl]carbamate;tert-butyl N-prop-2-enylcarbamate;3-(4-fluorophenyl)-2-oxo-1H-quinoxaline-6-carboxylic acid;morpholine?
The IUPAC name of 5-(3-aminopropyl)pyridin-2-amine;N-[3-(6-amino-3-pyridinyl)propyl]-2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxamide;N-[3-(6-amino-3-pyridinyl)propyl]-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide;5-bromopyridin-2-amine;tert-butyl N-[3-(6-amino-3-pyridinyl)propyl]carbamate;tert-butyl N-prop-2-enylcarbamate;3-(4-fluorophenyl)-2-oxo-1H-quinoxaline-6-carboxylic acid;morpholine (CID 161131643) is 5-(3-aminopropyl)pyridin-2-amine;N-[3-(6-amino-3-pyridinyl)propyl]-2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxamide;N-[3-(6-amino-3-pyridinyl)propyl]-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide;5-bromopyridin-2-amine;tert-butyl N-[3-(6-amino-3-pyridinyl)propyl]carbamate;tert-butyl N-prop-2-enylcarbamate;3-(4-fluorophenyl)-2-oxo-1H-quinoxaline-6-carboxylic acid;morpholine.
What is the SMILES notation for 5-(3-aminopropyl)pyridin-2-amine;N-[3-(6-amino-3-pyridinyl)propyl]-2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxamide;N-[3-(6-amino-3-pyridinyl)propyl]-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide;5-bromopyridin-2-amine;tert-butyl N-[3-(6-amino-3-pyridinyl)propyl]carbamate;tert-butyl N-prop-2-enylcarbamate;3-(4-fluorophenyl)-2-oxo-1H-quinoxaline-6-carboxylic acid;morpholine?
The canonical SMILES for 5-(3-aminopropyl)pyridin-2-amine;N-[3-(6-amino-3-pyridinyl)propyl]-2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxamide;N-[3-(6-amino-3-pyridinyl)propyl]-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide;5-bromopyridin-2-amine;tert-butyl N-[3-(6-amino-3-pyridinyl)propyl]carbamate;tert-butyl N-prop-2-enylcarbamate;3-(4-fluorophenyl)-2-oxo-1H-quinoxaline-6-carboxylic acid;morpholine is C1COCCN1.C=CCNC(=O)OC(C)(C)C.CC(C)(C)OC(=O)NCCCc1ccc(N)nc1.NCCCc1ccc(N)nc1.Nc1ccc(Br)cn1.Nc1ccc(CCCNC(=O)c2ccc3nc(Cl)c(-c4ccc(F)cc4)nc3c2)cn1.Nc1ccc(CCCNC(=O)c2ccc3nc(N4CCOCC4)c(-c4ccc(F)cc4)nc3c2)cn1.O=C(O)c1ccc2[nH]c(=O)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 5-(3-aminopropyl)pyridin-2-amine;N-[3-(6-amino-3-pyridinyl)propyl]-2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxamide;N-[3-(6-amino-3-pyridinyl)propyl]-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide;5-bromopyridin-2-amine;tert-butyl N-[3-(6-amino-3-pyridinyl)propyl]carbamate;tert-butyl N-prop-2-enylcarbamate;3-(4-fluorophenyl)-2-oxo-1H-quinoxaline-6-carboxylic acid;morpholine?
The InChIKey is UMGPSSLYOAATCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN6O2.C23H19ClFN5O.C15H9FN2O3.C13H21N3O2.C8H13N3.C8H15NO2.C5H5BrN2.C4H9NO/c28-21-7-4-19(5-8-21)25-26(34-12-14-36-15-13-34)33-22-9-6-20(16-23(22)32-25)27(35)30-11-1-2-18-3-10-24(29)31-17-18;24-22-21(15-4-7-17(25)8-5-15)29-19-12-16(6-9-18(19)30-22)23(31)27-11-1-2-14-3-10-20(26)28-13-14;16-10-4-1-8(2-5-10)13-14(19)18-11-6-3-9(15(20)21)7-12(11)17-13;1-13(2,3)18-12(17)15-8-4-5-10-6-7-11(14)16-9-10;9-5-1-2-7-3-4-8(10)11-6-7;1-5-6-9-7(10)11-8(2,3)4;6-4-1-2-5(7)8-3-4;1-3-6-4-2-5-1/h3-10,16-17H,1-2,11-15H2,(H2,29,31)(H,30,35);3-10,12-13H,1-2,11H2,(H2,26,28)(H,27,31);1-7H,(H,18,19)(H,20,21);6-7,9H,4-5,8H2,1-3H3,(H2,14,16)(H,15,17);3-4,6H,1-2,5,9H2,(H2,10,11);5H,1,6H2,2-4H3,(H,9,10);1-3H,(H2,7,8);5H,1-4H2.
What are the key properties of 5-(3-aminopropyl)pyridin-2-amine;N-[3-(6-amino-3-pyridinyl)propyl]-2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxamide;N-[3-(6-amino-3-pyridinyl)propyl]-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide;5-bromopyridin-2-amine;tert-butyl N-[3-(6-amino-3-pyridinyl)propyl]carbamate;tert-butyl N-prop-2-enylcarbamate;3-(4-fluorophenyl)-2-oxo-1H-quinoxaline-6-carboxylic acid;morpholine?
5-(3-aminopropyl)pyridin-2-amine;N-[3-(6-amino-3-pyridinyl)propyl]-2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxamide;N-[3-(6-amino-3-pyridinyl)propyl]-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide;5-bromopyridin-2-amine;tert-butyl N-[3-(6-amino-3-pyridinyl)propyl]carbamate;tert-butyl N-prop-2-enylcarbamate;3-(4-fluorophenyl)-2-oxo-1H-quinoxaline-6-carboxylic acid;morpholine has a molecular weight of 2026.58 g/mol, XLogP of 15.87, 24 rotatable bonds, 13 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)pyridin-2-amine;N-[3-(6-amino-3-pyridinyl)propyl]-2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxamide;N-[3-(6-amino-3-pyridinyl)propyl]-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide;5-bromopyridin-2-amine;tert-butyl N-[3-(6-amino-3-pyridinyl)propyl]carbamate;tert-butyl N-prop-2-enylcarbamate;3-(4-fluorophenyl)-2-oxo-1H-quinoxaline-6-carboxylic acid;morpholine is sourced from PubChem (CID 161131643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).