N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-3-carboxamide;3-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoxaline-2-carboxamide;2-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]morpholine-4-carboxamide

C75H85N19O6 — CID 87592664

IUPACN-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-3-carboxamide;3-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoxaline-2-carboxamide;2-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]morpholine-4-carboxamide
SMILESCCCc1nc2c(N)nc3ccccc3c2n1CCCCC1CN(C(N)=O)CCO1.COCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)c1cnc2ccccc2c1.COCCc1nc2c(N)nc3ccccc3c2n1CCCCc1nc2ccccc2nc1C(N)=O
InChIInChI=1S/C27H28N6O2.C26H27N7O2.C22H30N6O2/c1-35-15-12-23-32-24-25(20-9-3-5-11-22(20)31-26(24)28)33(23)14-7-6-13-29-27(34)19-16-18-8-2-4-10-21(18)30-17-19;1-35-15-13-21-32-23-24(16-8-2-3-9-17(16)31-25(23)27)33(21)14-7-6-12-20-22(26(28)34)30-19-11-5-4-10-18(19)29-20;1-2-7-18-26-19-20(16-9-3-4-10-17(16)25-21(19)23)28(18)11-6-5-8-15-14-27(22(24)29)12-13-30-15/h2-5,8-11,16-17H,6-7,12-15H2,1H3,(H2,28,31)(H,29,34);2-5,8-11H,6-7,12-15H2,1H3,(H2,27,31)(H2,28,34);3-4,9-10,15H,2,5-8,11-14H2,1H3,(H2,23,25)(H2,24,29)
InChIKeyKMAWGRJBNQVILQ-UHFFFAOYSA-N
MW1348.63 g/mol
LogP10.60
Rot. Bonds25

About N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-3-carboxamide;3-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoxaline-2-carboxamide;2-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]morpholine-4-carboxamide

N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-3-carboxamide;3-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoxaline-2-carboxamide;2-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]morpholine-4-carboxamide (PubChem CID 87592664) has the molecular formula C75H85N19O6 and a molecular weight of 1348.63 g/mol. Its IUPAC name is N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-3-carboxamide;3-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoxaline-2-carboxamide;2-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-3-carboxamide;3-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoxaline-2-carboxamide;2-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]morpholine-4-carboxamide
PubChem CID87592664
Molecular FormulaC75H85N19O6
Molecular Weight1348.63 g/mol
Exact Mass1347.69
IUPAC NameN-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-3-carboxamide;3-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoxaline-2-carboxamide;2-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]morpholine-4-carboxamide
SMILESCCCc1nc2c(N)nc3ccccc3c2n1CCCCC1CN(C(N)=O)CCO1.COCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)c1cnc2ccccc2c1.COCCc1nc2c(N)nc3ccccc3c2n1CCCCc1nc2ccccc2nc1C(N)=O
InChIInChI=1S/C27H28N6O2.C26H27N7O2.C22H30N6O2/c1-35-15-12-23-32-24-25(20-9-3-5-11-22(20)31-26(24)28)33(23)14-7-6-13-29-27(34)19-16-18-8-2-4-10-21(18)30-17-19;1-35-15-13-21-32-23-24(16-8-2-3-9-17(16)31-25(23)27)33(21)14-7-6-12-20-22(26(28)34)30-19-11-5-4-10-18(19)29-20;1-2-7-18-26-19-20(16-9-3-4-10-17(16)25-21(19)23)28(18)11-6-5-8-15-14-27(22(24)29)12-13-30-15/h2-5,8-11,16-17H,6-7,12-15H2,1H3,(H2,28,31)(H,29,34);2-5,8-11H,6-7,12-15H2,1H3,(H2,27,31)(H2,28,34);3-4,9-10,15H,2,5-8,11-14H2,1H3,(H2,23,25)(H2,24,29)
InChIKeyKMAWGRJBNQVILQ-UHFFFAOYSA-N
XLogP10.60
TPSA355.07 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds25
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001348.63
LogP ≤ 510.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-3-carboxamide;3-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoxaline-2-carboxamide;2-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]morpholine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-3-carboxamide;3-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoxaline-2-carboxamide;2-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]morpholine-4-carboxamide?
The IUPAC name of N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-3-carboxamide;3-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoxaline-2-carboxamide;2-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]morpholine-4-carboxamide (CID 87592664) is N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-3-carboxamide;3-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoxaline-2-carboxamide;2-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-3-carboxamide;3-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoxaline-2-carboxamide;2-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]morpholine-4-carboxamide?
The canonical SMILES for N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-3-carboxamide;3-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoxaline-2-carboxamide;2-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]morpholine-4-carboxamide is CCCc1nc2c(N)nc3ccccc3c2n1CCCCC1CN(C(N)=O)CCO1.COCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)c1cnc2ccccc2c1.COCCc1nc2c(N)nc3ccccc3c2n1CCCCc1nc2ccccc2nc1C(N)=O.
What is the InChIKey of N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-3-carboxamide;3-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoxaline-2-carboxamide;2-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]morpholine-4-carboxamide?
The InChIKey is KMAWGRJBNQVILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O2.C26H27N7O2.C22H30N6O2/c1-35-15-12-23-32-24-25(20-9-3-5-11-22(20)31-26(24)28)33(23)14-7-6-13-29-27(34)19-16-18-8-2-4-10-21(18)30-17-19;1-35-15-13-21-32-23-24(16-8-2-3-9-17(16)31-25(23)27)33(21)14-7-6-12-20-22(26(28)34)30-19-11-5-4-10-18(19)29-20;1-2-7-18-26-19-20(16-9-3-4-10-17(16)25-21(19)23)28(18)11-6-5-8-15-14-27(22(24)29)12-13-30-15/h2-5,8-11,16-17H,6-7,12-15H2,1H3,(H2,28,31)(H,29,34);2-5,8-11H,6-7,12-15H2,1H3,(H2,27,31)(H2,28,34);3-4,9-10,15H,2,5-8,11-14H2,1H3,(H2,23,25)(H2,24,29).
What are the key properties of N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-3-carboxamide;3-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoxaline-2-carboxamide;2-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]morpholine-4-carboxamide?
N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-3-carboxamide;3-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoxaline-2-carboxamide;2-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]morpholine-4-carboxamide has a molecular weight of 1348.63 g/mol, XLogP of 10.60, 25 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-3-carboxamide;3-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoxaline-2-carboxamide;2-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]morpholine-4-carboxamide is sourced from PubChem (CID 87592664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).