N-[6-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]-1H-benzimidazol-2-yl]propanamide

C28H24N6O2 — CID 162673765

IUPACN-[6-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]-1H-benzimidazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc2ccc(-c3ccc4ncn(CCc5c[nH]c6ccccc56)c(=O)c4c3)cc2[nH]1
InChIInChI=1S/C28H24N6O2/c1-2-26(35)33-28-31-24-10-8-18(14-25(24)32-28)17-7-9-23-21(13-17)27(36)34(16-30-23)12-11-19-15-29-22-6-4-3-5-20(19)22/h3-10,13-16,29H,2,11-12H2,1H3,(H2,31,32,33,35)
InChIKeyLSOJMWRTJMDWFW-UHFFFAOYSA-N
MW476.54 g/mol
LogP5.01
Rot. Bonds6

About N-[6-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]-1H-benzimidazol-2-yl]propanamide

N-[6-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]-1H-benzimidazol-2-yl]propanamide (PubChem CID 162673765) has the molecular formula C28H24N6O2 and a molecular weight of 476.54 g/mol. Its IUPAC name is N-[6-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]-1H-benzimidazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[6-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]-1H-benzimidazol-2-yl]propanamide
PubChem CID162673765
Molecular FormulaC28H24N6O2
Molecular Weight476.54 g/mol
Exact Mass476.20
IUPAC NameN-[6-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]-1H-benzimidazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc2ccc(-c3ccc4ncn(CCc5c[nH]c6ccccc56)c(=O)c4c3)cc2[nH]1
InChIInChI=1S/C28H24N6O2/c1-2-26(35)33-28-31-24-10-8-18(14-25(24)32-28)17-7-9-23-21(13-17)27(36)34(16-30-23)12-11-19-15-29-22-6-4-3-5-20(19)22/h3-10,13-16,29H,2,11-12H2,1H3,(H2,31,32,33,35)
InChIKeyLSOJMWRTJMDWFW-UHFFFAOYSA-N
XLogP5.01
TPSA108.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.54
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[6-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]-1H-benzimidazol-2-yl]propanamide 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

Alosetron
CID 2099
Ramosetron
CID 108000
Alosetron Hydrochloride
CID 60758
Ramosetron Hydrochloride
CID 107999
1-(3-fluoro-4-(7-(5-methyl-1H-imidazol-2-yl)-1-oxo-2,3-dihydro-1H-isoindo-1-4-yl)-phenyl)-3-(3-trifluoromethyl-phenyl)-urea
CID 66981446
Granulatimide
CID 5324595
Avp-13358
CID 9805635
IN-1130
CID 11676119
(E)-N-(3-((6-(1H-Indol-3-yl)pyrimidin-4-yl)amino)phenyl)-4-(4-(dimethylamino)but-2-enamido)benzamide
CID 134451950
3-(5-Methyl-1H-imidazol-4-yl)-1-(1-methyl-1H-indol-3-yl)-1-propanone
CID 5311136
2-((2-((2-Methyl-4-(1-propyl-1,2,5,6-tetrahydropyridin-3-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)benzamide
CID 25218593
6-but-3-enyl-4-[1-methyl-6-(morpholine-4-carbonyl)benzimidazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121335283

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]-1H-benzimidazol-2-yl]propanamide?
The IUPAC name of N-[6-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]-1H-benzimidazol-2-yl]propanamide (CID 162673765) is N-[6-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]-1H-benzimidazol-2-yl]propanamide.
What is the SMILES notation for N-[6-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]-1H-benzimidazol-2-yl]propanamide?
The canonical SMILES for N-[6-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]-1H-benzimidazol-2-yl]propanamide is CCC(=O)Nc1nc2ccc(-c3ccc4ncn(CCc5c[nH]c6ccccc56)c(=O)c4c3)cc2[nH]1.
What is the InChIKey of N-[6-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]-1H-benzimidazol-2-yl]propanamide?
The InChIKey is LSOJMWRTJMDWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O2/c1-2-26(35)33-28-31-24-10-8-18(14-25(24)32-28)17-7-9-23-21(13-17)27(36)34(16-30-23)12-11-19-15-29-22-6-4-3-5-20(19)22/h3-10,13-16,29H,2,11-12H2,1H3,(H2,31,32,33,35).
What are the key properties of N-[6-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]-1H-benzimidazol-2-yl]propanamide?
N-[6-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]-1H-benzimidazol-2-yl]propanamide has a molecular weight of 476.54 g/mol, XLogP of 5.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]-1H-benzimidazol-2-yl]propanamide is sourced from PubChem (CID 162673765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).