N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide

C27H22N4O3 — CID 167812971

IUPACN-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCc3ccccc32)c1)c1ccc2c(=O)n3c(nc2c1)CCC3
InChIInChI=1S/C27H22N4O3/c32-25(18-10-11-21-22(16-18)29-24-9-4-13-31(24)27(21)34)28-20-7-3-6-19(15-20)26(33)30-14-12-17-5-1-2-8-23(17)30/h1-3,5-8,10-11,15-16H,4,9,12-14H2,(H,28,32)
InChIKeyGOIJYDXOCLHZOR-UHFFFAOYSA-N
MW450.50 g/mol
LogP3.80
Rot. Bonds3

About N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide

N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide (PubChem CID 167812971) has the molecular formula C27H22N4O3 and a molecular weight of 450.50 g/mol. Its IUPAC name is N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
PubChem CID167812971
Molecular FormulaC27H22N4O3
Molecular Weight450.50 g/mol
Exact Mass450.17
IUPAC NameN-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCc3ccccc32)c1)c1ccc2c(=O)n3c(nc2c1)CCC3
InChIInChI=1S/C27H22N4O3/c32-25(18-10-11-21-22(16-18)29-24-9-4-13-31(24)27(21)34)28-20-7-3-6-19(15-20)26(33)30-14-12-17-5-1-2-8-23(17)30/h1-3,5-8,10-11,15-16H,4,9,12-14H2,(H,28,32)
InChIKeyGOIJYDXOCLHZOR-UHFFFAOYSA-N
XLogP3.80
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 9095690
12-oxo-N-phenyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 4816890
12-oxo-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 16603183
N-(4-acetamidophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 26718308
N-[3-(dimethylsulfamoyl)phenyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 8961586
N-(3-methoxyphenyl)-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
CID 17496151
N-(3,4-difluorophenyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 4588363
12-oxo-N-(4-phenylphenyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 7598609
N-(2-fluorophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 8780410
2-(2,3-dihydroindol-1-yl)-2-oxo-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)acetamide
CID 23602348
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 20888942
N'-(3-chlorobenzoyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbohydrazide
CID 24979555

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The IUPAC name of N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide (CID 167812971) is N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide.
What is the SMILES notation for N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The canonical SMILES for N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide is O=C(Nc1cccc(C(=O)N2CCc3ccccc32)c1)c1ccc2c(=O)n3c(nc2c1)CCC3.
What is the InChIKey of N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The InChIKey is GOIJYDXOCLHZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O3/c32-25(18-10-11-21-22(16-18)29-24-9-4-13-31(24)27(21)34)28-20-7-3-6-19(15-20)26(33)30-14-12-17-5-1-2-8-23(17)30/h1-3,5-8,10-11,15-16H,4,9,12-14H2,(H,28,32).
What are the key properties of N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide is sourced from PubChem (CID 167812971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).