(4R)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide

C19H18N6O3 — CID 164630955

IUPAC(4R)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
SMILESCOc1cc(NC(=O)[C@@H]2CC(=O)N(C)c3ccccc32)cc(-n2cnnn2)c1
InChIInChI=1S/C19H18N6O3/c1-24-17-6-4-3-5-15(17)16(10-18(24)26)19(27)21-12-7-13(9-14(8-12)28-2)25-11-20-22-23-25/h3-9,11,16H,10H2,1-2H3,(H,21,27)/t16-/m1/s1
InChIKeyIVJLRBBYIGSQMN-MRXNPFEDSA-N
MW378.39 g/mol
LogP1.76
Rot. Bonds4

About (4R)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide

(4R)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide (PubChem CID 164630955) has the molecular formula C19H18N6O3 and a molecular weight of 378.39 g/mol. Its IUPAC name is (4R)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
PubChem CID164630955
Molecular FormulaC19H18N6O3
Molecular Weight378.39 g/mol
Exact Mass378.14
IUPAC Name(4R)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
SMILESCOc1cc(NC(=O)[C@@H]2CC(=O)N(C)c3ccccc32)cc(-n2cnnn2)c1
InChIInChI=1S/C19H18N6O3/c1-24-17-6-4-3-5-15(17)16(10-18(24)26)19(27)21-12-7-13(9-14(8-12)28-2)25-11-20-22-23-25/h3-9,11,16H,10H2,1-2H3,(H,21,27)/t16-/m1/s1
InChIKeyIVJLRBBYIGSQMN-MRXNPFEDSA-N
XLogP1.76
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4R)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide?
The IUPAC name of (4R)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide (CID 164630955) is (4R)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide.
What is the SMILES notation for (4R)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide?
The canonical SMILES for (4R)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide is COc1cc(NC(=O)[C@@H]2CC(=O)N(C)c3ccccc32)cc(-n2cnnn2)c1.
What is the InChIKey of (4R)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide?
The InChIKey is IVJLRBBYIGSQMN-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18N6O3/c1-24-17-6-4-3-5-15(17)16(10-18(24)26)19(27)21-12-7-13(9-14(8-12)28-2)25-11-20-22-23-25/h3-9,11,16H,10H2,1-2H3,(H,21,27)/t16-/m1/s1.
What are the key properties of (4R)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide?
(4R)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide has a molecular weight of 378.39 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide is sourced from PubChem (CID 164630955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).