N-[(2R)-2-hydroxypropyl]-2-morpholin-4-yl-8-[1-[[(3E)-penta-1,3-dien-3-yl]amino]ethyl]quinoxaline-6-carboxamide

C23H31N5O3 — CID 129030414

IUPACN-[(2R)-2-hydroxypropyl]-2-morpholin-4-yl-8-[1-[[(3E)-penta-1,3-dien-3-yl]amino]ethyl]quinoxaline-6-carboxamide
SMILESC=C/C(=C\C)NC(C)c1cc(C(=O)NC[C@@H](C)O)cc2ncc(N3CCOCC3)nc12
InChIInChI=1S/C23H31N5O3/c1-5-18(6-2)26-16(4)19-11-17(23(30)25-13-15(3)29)12-20-22(19)27-21(14-24-20)28-7-9-31-10-8-28/h5-6,11-12,14-16,26,29H,1,7-10,13H2,2-4H3,(H,25,30)/b18-6+/t15-,16?/m1/s1
InChIKeyNBBCQQHQCPOIDY-QADCSKMPSA-N
MW425.53 g/mol
LogP2.32
Rot. Bonds8

About N-[(2R)-2-hydroxypropyl]-2-morpholin-4-yl-8-[1-[[(3E)-penta-1,3-dien-3-yl]amino]ethyl]quinoxaline-6-carboxamide

N-[(2R)-2-hydroxypropyl]-2-morpholin-4-yl-8-[1-[[(3E)-penta-1,3-dien-3-yl]amino]ethyl]quinoxaline-6-carboxamide (PubChem CID 129030414) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]-2-morpholin-4-yl-8-[1-[[(3E)-penta-1,3-dien-3-yl]amino]ethyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]-2-morpholin-4-yl-8-[1-[[(3E)-penta-1,3-dien-3-yl]amino]ethyl]quinoxaline-6-carboxamide
PubChem CID129030414
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC NameN-[(2R)-2-hydroxypropyl]-2-morpholin-4-yl-8-[1-[[(3E)-penta-1,3-dien-3-yl]amino]ethyl]quinoxaline-6-carboxamide
SMILESC=C/C(=C\C)NC(C)c1cc(C(=O)NC[C@@H](C)O)cc2ncc(N3CCOCC3)nc12
InChIInChI=1S/C23H31N5O3/c1-5-18(6-2)26-16(4)19-11-17(23(30)25-13-15(3)29)12-20-22(19)27-21(14-24-20)28-7-9-31-10-8-28/h5-6,11-12,14-16,26,29H,1,7-10,13H2,2-4H3,(H,25,30)/b18-6+/t15-,16?/m1/s1
InChIKeyNBBCQQHQCPOIDY-QADCSKMPSA-N
XLogP2.32
TPSA99.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

8-(1-hydroxyethyl)-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129030292
N-(2-hydroxypropyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 84574824
8-[1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-N-methyl-2-morpholin-4-ylquinoxaline-6-carboxamide;ethane
CID 145289333
tert-butyl N-[2-[[8-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carbonyl]amino]ethyl]-N-methylcarbamate
CID 129030253
[8-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 129030423
methyl 8-[1-[(5-fluoro-3-pyridinyl)amino]ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylate
CID 142439976
methyl 8-[1-(3-fluoro-4-methylanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylate
CID 129029975
8-[1-(4-chloro-3-fluorophenoxy)ethyl]-N-[2-[methyl(prop-1-en-2-yl)amino]ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide;ethane
CID 145289341
tert-butyl (2R)-2-[[[8-[1-(3,4-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carbonyl]amino]methyl]pyrrolidine-1-carboxylate
CID 129030458
N,N-dimethyl-2-morpholin-4-yl-8-(1-phenylsulfanylethyl)quinoxaline-6-carboxamide
CID 129030355
[8-[1-(3-fluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 129030553
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[8-[(1R)-1-(3,4-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]methanone
CID 129030123

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]-2-morpholin-4-yl-8-[1-[[(3E)-penta-1,3-dien-3-yl]amino]ethyl]quinoxaline-6-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]-2-morpholin-4-yl-8-[1-[[(3E)-penta-1,3-dien-3-yl]amino]ethyl]quinoxaline-6-carboxamide (CID 129030414) is N-[(2R)-2-hydroxypropyl]-2-morpholin-4-yl-8-[1-[[(3E)-penta-1,3-dien-3-yl]amino]ethyl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]-2-morpholin-4-yl-8-[1-[[(3E)-penta-1,3-dien-3-yl]amino]ethyl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]-2-morpholin-4-yl-8-[1-[[(3E)-penta-1,3-dien-3-yl]amino]ethyl]quinoxaline-6-carboxamide is C=C/C(=C\C)NC(C)c1cc(C(=O)NC[C@@H](C)O)cc2ncc(N3CCOCC3)nc12.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]-2-morpholin-4-yl-8-[1-[[(3E)-penta-1,3-dien-3-yl]amino]ethyl]quinoxaline-6-carboxamide?
The InChIKey is NBBCQQHQCPOIDY-QADCSKMPSA-N. The full InChI is InChI=1S/C23H31N5O3/c1-5-18(6-2)26-16(4)19-11-17(23(30)25-13-15(3)29)12-20-22(19)27-21(14-24-20)28-7-9-31-10-8-28/h5-6,11-12,14-16,26,29H,1,7-10,13H2,2-4H3,(H,25,30)/b18-6+/t15-,16?/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]-2-morpholin-4-yl-8-[1-[[(3E)-penta-1,3-dien-3-yl]amino]ethyl]quinoxaline-6-carboxamide?
N-[(2R)-2-hydroxypropyl]-2-morpholin-4-yl-8-[1-[[(3E)-penta-1,3-dien-3-yl]amino]ethyl]quinoxaline-6-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 2.32, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxypropyl]-2-morpholin-4-yl-8-[1-[[(3E)-penta-1,3-dien-3-yl]amino]ethyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 129030414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).