methyl 7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate

C17H15ClN2O3 — CID 112535184

IUPACmethyl 7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
SMILESCOC(=O)c1cncc2c1CCN(C(=O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C17H15ClN2O3/c1-23-17(22)15-9-19-8-12-10-20(7-6-14(12)15)16(21)11-2-4-13(18)5-3-11/h2-5,8-9H,6-7,10H2,1H3
InChIKeyBFMPAGPDZGZWNI-UHFFFAOYSA-N
MW330.77 g/mol
LogP2.72
Rot. Bonds2

About methyl 7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate

methyl 7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate (PubChem CID 112535184) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is methyl 7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
PubChem CID112535184
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Namemethyl 7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
SMILESCOC(=O)c1cncc2c1CCN(C(=O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C17H15ClN2O3/c1-23-17(22)15-9-19-8-12-10-20(7-6-14(12)15)16(21)11-2-4-13(18)5-3-11/h2-5,8-9H,6-7,10H2,1H3
InChIKeyBFMPAGPDZGZWNI-UHFFFAOYSA-N
XLogP2.72
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 110476737
methyl 7-[4-(dimethylamino)benzoyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
CID 112535220
methyl 7-(2,3-dihydro-1H-indene-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
CID 112535228
methyl 7-[2-(4-methylphenyl)acetyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
CID 112535197
7-acetyl-N-(4-chlorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112521021
methyl 5-[(2,4-dichlorophenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112523962
7-(3-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 110476741
methyl 5-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112530449
7-acetyl-N-(3,5-dichlorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112525367
7-(2-methoxy-5-methylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 112532738
5-N-(5-chloro-2-methylphenyl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112523206
methyl 5-[(2-methylphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112520462

Frequently Asked Questions

What is the IUPAC name of methyl 7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate?
The IUPAC name of methyl 7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate (CID 112535184) is methyl 7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate.
What is the SMILES notation for methyl 7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate?
The canonical SMILES for methyl 7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate is COC(=O)c1cncc2c1CCN(C(=O)c1ccc(Cl)cc1)C2.
What is the InChIKey of methyl 7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate?
The InChIKey is BFMPAGPDZGZWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-23-17(22)15-9-19-8-12-10-20(7-6-14(12)15)16(21)11-2-4-13(18)5-3-11/h2-5,8-9H,6-7,10H2,1H3.
What are the key properties of methyl 7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate?
methyl 7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate has a molecular weight of 330.77 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate is sourced from PubChem (CID 112535184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).