4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C27H23N3O4 — CID 46620730

IUPAC4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)c2ccccc2O1
InChIInChI=1S/C27H23N3O4/c1-28-26(31)25-16-30(23-9-5-6-10-24(23)34-25)27(32)20-15-22(17-11-13-18(33-2)14-12-17)29-21-8-4-3-7-19(20)21/h3-15,25H,16H2,1-2H3,(H,28,31)
InChIKeyOWZSQXFSZQNFPT-UHFFFAOYSA-N
MW453.50 g/mol
LogP4.06
Rot. Bonds4

About 4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 46620730) has the molecular formula C27H23N3O4 and a molecular weight of 453.50 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
PubChem CID46620730
Molecular FormulaC27H23N3O4
Molecular Weight453.50 g/mol
Exact Mass453.17
IUPAC Name4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)c2ccccc2O1
InChIInChI=1S/C27H23N3O4/c1-28-26(31)25-16-30(23-9-5-6-10-24(23)34-25)27(32)20-15-22(17-11-13-18(33-2)14-12-17)29-21-8-4-3-7-19(20)21/h3-15,25H,16H2,1-2H3,(H,28,31)
InChIKeyOWZSQXFSZQNFPT-UHFFFAOYSA-N
XLogP4.06
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide with MolForge

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Related Compounds

(2R)-4-(2-pyridin-4-ylquinoline-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 25347339
[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]-2,5-dimethylpiperazin-1-yl]-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 4605822
4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 46687734
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 7693946
N'-(2,5-dimethylfuran-3-carbonyl)-2-(4-methoxyphenyl)quinoline-4-carbohydrazide
CID 9468216
4-[4-(4-fluorophenoxy)benzoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 24517999
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
[4-[2-(4-ethoxyphenyl)quinoline-4-carbonyl]-2,5-dimethylpiperazin-1-yl]-[2-(4-ethoxyphenyl)quinolin-4-yl]methanone
CID 3504538
methyl 1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate
CID 55561141
(2S)-N-methyl-4-(2-naphthalen-1-yloxyacetyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 26711422
2-(4-methoxyphenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide
CID 24542943

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The IUPAC name of 4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 46620730) is 4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for 4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide is CNC(=O)C1CN(C(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)c2ccccc2O1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The InChIKey is OWZSQXFSZQNFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O4/c1-28-26(31)25-16-30(23-9-5-6-10-24(23)34-25)27(32)20-15-22(17-11-13-18(33-2)14-12-17)29-21-8-4-3-7-19(20)21/h3-15,25H,16H2,1-2H3,(H,28,31).
What are the key properties of 4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 453.50 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 46620730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).