N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide

C27H26N4O4 — CID 34656418

IUPACN-[2-(furan-2-ylmethylcarbamoyl)phenyl]-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCc1ccco1)c1ccc2c(=O)n3c(nc2c1)CCCCCC3
InChIInChI=1S/C27H26N4O4/c32-25(30-22-10-5-4-9-20(22)26(33)28-17-19-8-7-15-35-19)18-12-13-21-23(16-18)29-24-11-3-1-2-6-14-31(24)27(21)34/h4-5,7-10,12-13,15-16H,1-3,6,11,14,17H2,(H,28,33)(H,30,32)
InChIKeyGDKDAWGLRPXTAY-UHFFFAOYSA-N
MW470.53 g/mol
LogP4.29
Rot. Bonds5

About N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide

N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide (PubChem CID 34656418) has the molecular formula C27H26N4O4 and a molecular weight of 470.53 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylcarbamoyl)phenyl]-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
PubChem CID34656418
Molecular FormulaC27H26N4O4
Molecular Weight470.53 g/mol
Exact Mass470.20
IUPAC NameN-[2-(furan-2-ylmethylcarbamoyl)phenyl]-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCc1ccco1)c1ccc2c(=O)n3c(nc2c1)CCCCCC3
InChIInChI=1S/C27H26N4O4/c32-25(30-22-10-5-4-9-20(22)26(33)28-17-19-8-7-15-35-19)18-12-13-21-23(16-18)29-24-11-3-1-2-6-14-31(24)27(21)34/h4-5,7-10,12-13,15-16H,1-3,6,11,14,17H2,(H,28,33)(H,30,32)
InChIKeyGDKDAWGLRPXTAY-UHFFFAOYSA-N
XLogP4.29
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
CID 35338389
12-oxo-N-[2-(piperidine-1-carbonyl)phenyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 31303437
N-(2-carbamoylphenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 9398991
N-benzyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide
CID 22551039
12-oxo-N-phenyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 4816890
N-(2-butan-2-ylphenyl)-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
CID 17499705
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
CID 8525918
N-(2-fluorophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 8780410
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 41000737
N'-(2-bromobenzoyl)-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carbohydrazide
CID 27672300
12-oxo-N-(4-phenylphenyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 7598609
N-[(4-acetamidophenyl)methyl]-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
CID 24629937

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide?
The IUPAC name of N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide (CID 34656418) is N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide?
The canonical SMILES for N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide is O=C(Nc1ccccc1C(=O)NCc1ccco1)c1ccc2c(=O)n3c(nc2c1)CCCCCC3.
What is the InChIKey of N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide?
The InChIKey is GDKDAWGLRPXTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O4/c32-25(30-22-10-5-4-9-20(22)26(33)28-17-19-8-7-15-35-19)18-12-13-21-23(16-18)29-24-11-3-1-2-6-14-31(24)27(21)34/h4-5,7-10,12-13,15-16H,1-3,6,11,14,17H2,(H,28,33)(H,30,32).
What are the key properties of N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide?
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide has a molecular weight of 470.53 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide is sourced from PubChem (CID 34656418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).