N-[3-[4-amino-2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]propyl]morpholine-4-carboxamide

C20H26N6O3 — CID 11856661

IUPACN-[3-[4-amino-2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]propyl]morpholine-4-carboxamide
SMILESNc1nc2ccccc2c2c1nc(CCO)n2CCCNC(=O)N1CCOCC1
InChIInChI=1S/C20H26N6O3/c21-19-17-18(14-4-1-2-5-15(14)23-19)26(16(24-17)6-11-27)8-3-7-22-20(28)25-9-12-29-13-10-25/h1-2,4-5,27H,3,6-13H2,(H2,21,23)(H,22,28)
InChIKeyYUJWDWLCPVHANQ-UHFFFAOYSA-N
MW398.47 g/mol
LogP1.13
Rot. Bonds6

About N-[3-[4-amino-2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]propyl]morpholine-4-carboxamide

N-[3-[4-amino-2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]propyl]morpholine-4-carboxamide (PubChem CID 11856661) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[3-[4-amino-2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]propyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[4-amino-2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]propyl]morpholine-4-carboxamide
PubChem CID11856661
Molecular FormulaC20H26N6O3
Molecular Weight398.47 g/mol
Exact Mass398.21
IUPAC NameN-[3-[4-amino-2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]propyl]morpholine-4-carboxamide
SMILESNc1nc2ccccc2c2c1nc(CCO)n2CCCNC(=O)N1CCOCC1
InChIInChI=1S/C20H26N6O3/c21-19-17-18(14-4-1-2-5-15(14)23-19)26(16(24-17)6-11-27)8-3-7-22-20(28)25-9-12-29-13-10-25/h1-2,4-5,27H,3,6-13H2,(H2,21,23)(H,22,28)
InChIKeyYUJWDWLCPVHANQ-UHFFFAOYSA-N
XLogP1.13
TPSA118.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[3-[4-amino-2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]propyl]morpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-amino-1-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-2-yl]ethanol
CID 143284618
2-[4-amino-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-2-yl]ethanol
CID 142032833
N-[4-[4-amino-2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-4-fluorobenzenesulfonamide
CID 11856928
N-[3-(9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl)propyl]morpholine-4-carboxamide
CID 76813304
3-[4-amino-1-(3-hydroxypropyl)imidazo[4,5-c]quinolin-2-yl]propanamide
CID 173109370
4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-1-morpholin-4-ylbutan-1-one
CID 57447015
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide
CID 23512725
[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol
CID 138457331
4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid
CID 141281240
4-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-4-oxobutanoic acid
CID 135137543
4-[4-amino-2-(2-hydroxyethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butylurea
CID 143012819
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-amino-2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]propyl]morpholine-4-carboxamide?
The IUPAC name of N-[3-[4-amino-2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]propyl]morpholine-4-carboxamide (CID 11856661) is N-[3-[4-amino-2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]propyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[3-[4-amino-2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]propyl]morpholine-4-carboxamide?
The canonical SMILES for N-[3-[4-amino-2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]propyl]morpholine-4-carboxamide is Nc1nc2ccccc2c2c1nc(CCO)n2CCCNC(=O)N1CCOCC1.
What is the InChIKey of N-[3-[4-amino-2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]propyl]morpholine-4-carboxamide?
The InChIKey is YUJWDWLCPVHANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3/c21-19-17-18(14-4-1-2-5-15(14)23-19)26(16(24-17)6-11-27)8-3-7-22-20(28)25-9-12-29-13-10-25/h1-2,4-5,27H,3,6-13H2,(H2,21,23)(H,22,28).
What are the key properties of N-[3-[4-amino-2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]propyl]morpholine-4-carboxamide?
N-[3-[4-amino-2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]propyl]morpholine-4-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-amino-2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]propyl]morpholine-4-carboxamide is sourced from PubChem (CID 11856661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).