N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-1-methyl-2-oxoquinoline-4-carboxamide

C23H18ClN3O3 — CID 55804308

IUPACN-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)c2ccccc21
InChIInChI=1S/C23H18ClN3O3/c1-26-20-9-5-3-7-17(20)18(12-22(26)29)23(30)25-16-10-11-21(28)27(14-16)13-15-6-2-4-8-19(15)24/h2-12,14H,13H2,1H3,(H,25,30)
InChIKeyXTXCZBISHKYSDX-UHFFFAOYSA-N
MW419.87 g/mol
LogP3.65
Rot. Bonds4

About N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-1-methyl-2-oxoquinoline-4-carboxamide

N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-1-methyl-2-oxoquinoline-4-carboxamide (PubChem CID 55804308) has the molecular formula C23H18ClN3O3 and a molecular weight of 419.87 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-1-methyl-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-1-methyl-2-oxoquinoline-4-carboxamide
PubChem CID55804308
Molecular FormulaC23H18ClN3O3
Molecular Weight419.87 g/mol
Exact Mass419.10
IUPAC NameN-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)c2ccccc21
InChIInChI=1S/C23H18ClN3O3/c1-26-20-9-5-3-7-17(20)18(12-22(26)29)23(30)25-16-10-11-21(28)27(14-16)13-15-6-2-4-8-19(15)24/h2-12,14H,13H2,1H3,(H,25,30)
InChIKeyXTXCZBISHKYSDX-UHFFFAOYSA-N
XLogP3.65
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
CID 55804082
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-hydroxy-5-methylbenzamide
CID 46494483
1-methyl-2-oxo-N-[4-(phenylcarbamoylamino)phenyl]quinoline-4-carboxamide
CID 55909182
N-[4-(2-chlorophenoxy)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55759235
N-(3-chlorophenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694528
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 55804301
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 55804395
N-(4-carbamoylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 91822577
N-[4-(dimethylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694551
1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-4-carboxamide
CID 131902181
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-[(4-fluorobenzoyl)amino]benzamide
CID 46494415
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55794278

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-1-methyl-2-oxoquinoline-4-carboxamide (CID 55804308) is N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-1-methyl-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-1-methyl-2-oxoquinoline-4-carboxamide is Cn1c(=O)cc(C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)c2ccccc21.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The InChIKey is XTXCZBISHKYSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3/c1-26-20-9-5-3-7-17(20)18(12-22(26)29)23(30)25-16-10-11-21(28)27(14-16)13-15-6-2-4-8-19(15)24/h2-12,14H,13H2,1H3,(H,25,30).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-1-methyl-2-oxoquinoline-4-carboxamide?
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-1-methyl-2-oxoquinoline-4-carboxamide has a molecular weight of 419.87 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-1-methyl-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 55804308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).