6-benzamido-4-(methoxymethoxy)-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide

C27H25N3O5 — CID 139667761

IUPAC6-benzamido-4-(methoxymethoxy)-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCOCOc1c(C(=O)N(C)c2ccccc2)c(=O)n(C)c2ccc(NC(=O)c3ccccc3)cc12
InChIInChI=1S/C27H25N3O5/c1-29(20-12-8-5-9-13-20)26(32)23-24(35-17-34-3)21-16-19(14-15-22(21)30(2)27(23)33)28-25(31)18-10-6-4-7-11-18/h4-16H,17H2,1-3H3,(H,28,31)
InChIKeyFVVIMJWGEVZILE-UHFFFAOYSA-N
MW471.51 g/mol
LogP4.05
Rot. Bonds7

About 6-benzamido-4-(methoxymethoxy)-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide

6-benzamido-4-(methoxymethoxy)-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide (PubChem CID 139667761) has the molecular formula C27H25N3O5 and a molecular weight of 471.51 g/mol. Its IUPAC name is 6-benzamido-4-(methoxymethoxy)-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide.

Molecular Properties

Compound Name6-benzamido-4-(methoxymethoxy)-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide
PubChem CID139667761
Molecular FormulaC27H25N3O5
Molecular Weight471.51 g/mol
Exact Mass471.18
IUPAC Name6-benzamido-4-(methoxymethoxy)-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCOCOc1c(C(=O)N(C)c2ccccc2)c(=O)n(C)c2ccc(NC(=O)c3ccccc3)cc12
InChIInChI=1S/C27H25N3O5/c1-29(20-12-8-5-9-13-20)26(32)23-24(35-17-34-3)21-16-19(14-15-22(21)30(2)27(23)33)28-25(31)18-10-6-4-7-11-18/h4-16H,17H2,1-3H3,(H,28,31)
InChIKeyFVVIMJWGEVZILE-UHFFFAOYSA-N
XLogP4.05
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[4-hydroxy-1-methyl-3-[methyl(phenyl)carbamoyl]-2-oxoquinolin-6-yl]carbamate
CID 139667758
methyl 4-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 17227914
3-[(4-methoxybenzoyl)amino]-N-methyl-N-phenylbenzamide
CID 17227750
4-(ethylamino)-N,1,5-trimethyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 22461072
3-N-methyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 109056757
N-[4-[methyl(phenyl)carbamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17230251
N-[4-[methyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 17230224
N-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-3,4,5-triethoxybenzamide
CID 15990247
5-bromo-2-(2-methoxyethoxy)-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide
CID 17227875
N-(1-methyl-3-propan-2-yloxyindazol-5-yl)benzamide
CID 100830643
3-[[2-(ethylamino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54820939
methyl 3-[[2-[methyl(phenyl)carbamoyl]pyridine-4-carbonyl]amino]benzoate
CID 109091517

Frequently Asked Questions

What is the IUPAC name of 6-benzamido-4-(methoxymethoxy)-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide?
The IUPAC name of 6-benzamido-4-(methoxymethoxy)-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide (CID 139667761) is 6-benzamido-4-(methoxymethoxy)-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide.
What is the SMILES notation for 6-benzamido-4-(methoxymethoxy)-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide?
The canonical SMILES for 6-benzamido-4-(methoxymethoxy)-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide is COCOc1c(C(=O)N(C)c2ccccc2)c(=O)n(C)c2ccc(NC(=O)c3ccccc3)cc12.
What is the InChIKey of 6-benzamido-4-(methoxymethoxy)-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide?
The InChIKey is FVVIMJWGEVZILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O5/c1-29(20-12-8-5-9-13-20)26(32)23-24(35-17-34-3)21-16-19(14-15-22(21)30(2)27(23)33)28-25(31)18-10-6-4-7-11-18/h4-16H,17H2,1-3H3,(H,28,31).
What are the key properties of 6-benzamido-4-(methoxymethoxy)-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide?
6-benzamido-4-(methoxymethoxy)-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide has a molecular weight of 471.51 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzamido-4-(methoxymethoxy)-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide is sourced from PubChem (CID 139667761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).