N-[3-[(4-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]furan-2-carboxamide

C23H20ClN3O3 — CID 1456610

IUPACN-[3-[(4-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]furan-2-carboxamide
SMILESCCCc1nc2ccc(NC(=O)c3ccco3)cc2c(=O)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C23H20ClN3O3/c1-2-4-21-26-19-11-10-17(25-22(28)20-5-3-12-30-20)13-18(19)23(29)27(21)14-15-6-8-16(24)9-7-15/h3,5-13H,2,4,14H2,1H3,(H,25,28)
InChIKeyQZSYSMQCFOKPBL-UHFFFAOYSA-N
MW421.88 g/mol
LogP4.90
Rot. Bonds6

About N-[3-[(4-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]furan-2-carboxamide

N-[3-[(4-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]furan-2-carboxamide (PubChem CID 1456610) has the molecular formula C23H20ClN3O3 and a molecular weight of 421.88 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]furan-2-carboxamide
PubChem CID1456610
Molecular FormulaC23H20ClN3O3
Molecular Weight421.88 g/mol
Exact Mass421.12
IUPAC NameN-[3-[(4-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]furan-2-carboxamide
SMILESCCCc1nc2ccc(NC(=O)c3ccco3)cc2c(=O)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C23H20ClN3O3/c1-2-4-21-26-19-11-10-17(25-22(28)20-5-3-12-30-20)13-18(19)23(29)27(21)14-15-6-8-16(24)9-7-15/h3,5-13H,2,4,14H2,1H3,(H,25,28)
InChIKeyQZSYSMQCFOKPBL-UHFFFAOYSA-N
XLogP4.90
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.88
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]furan-2-carboxamide?
The IUPAC name of N-[3-[(4-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]furan-2-carboxamide (CID 1456610) is N-[3-[(4-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]furan-2-carboxamide is CCCc1nc2ccc(NC(=O)c3ccco3)cc2c(=O)n1Cc1ccc(Cl)cc1.
What is the InChIKey of N-[3-[(4-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]furan-2-carboxamide?
The InChIKey is QZSYSMQCFOKPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O3/c1-2-4-21-26-19-11-10-17(25-22(28)20-5-3-12-30-20)13-18(19)23(29)27(21)14-15-6-8-16(24)9-7-15/h3,5-13H,2,4,14H2,1H3,(H,25,28).
What are the key properties of N-[3-[(4-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]furan-2-carboxamide?
N-[3-[(4-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]furan-2-carboxamide has a molecular weight of 421.88 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]furan-2-carboxamide is sourced from PubChem (CID 1456610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).