N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide

C19H15N3O3 — CID 940577

IUPACN-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide
SMILESO=C(Nc1ncc2c(n1)C[C@H](c1ccccc1)CC2=O)c1ccco1
InChIInChI=1S/C19H15N3O3/c23-16-10-13(12-5-2-1-3-6-12)9-15-14(16)11-20-19(21-15)22-18(24)17-7-4-8-25-17/h1-8,11,13H,9-10H2,(H,20,21,22,24)/t13-/m0/s1
InChIKeyDHBMPKKAIZRNLU-ZDUSSCGKSA-N
MW333.35 g/mol
LogP3.23
Rot. Bonds3

About N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide

N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide (PubChem CID 940577) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide
PubChem CID940577
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC NameN-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide
SMILESO=C(Nc1ncc2c(n1)C[C@H](c1ccccc1)CC2=O)c1ccco1
InChIInChI=1S/C19H15N3O3/c23-16-10-13(12-5-2-1-3-6-12)9-15-14(16)11-20-19(21-15)22-18(24)17-7-4-8-25-17/h1-8,11,13H,9-10H2,(H,20,21,22,24)/t13-/m0/s1
InChIKeyDHBMPKKAIZRNLU-ZDUSSCGKSA-N
XLogP3.23
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide (CID 940577) is N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide is O=C(Nc1ncc2c(n1)C[C@H](c1ccccc1)CC2=O)c1ccco1.
What is the InChIKey of N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide?
The InChIKey is DHBMPKKAIZRNLU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H15N3O3/c23-16-10-13(12-5-2-1-3-6-12)9-15-14(16)11-20-19(21-15)22-18(24)17-7-4-8-25-17/h1-8,11,13H,9-10H2,(H,20,21,22,24)/t13-/m0/s1.
What are the key properties of N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide?
N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide has a molecular weight of 333.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide is sourced from PubChem (CID 940577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).