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

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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).