methyl 5-[(2,4-dichlorophenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate

C17H15Cl2N3O3 — CID 112523962

IUPACmethyl 5-[(2,4-dichlorophenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
SMILESCOC(=O)N1CCc2c(cncc2C(=O)Nc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C17H15Cl2N3O3/c1-25-17(24)22-5-4-12-10(9-22)7-20-8-13(12)16(23)21-15-3-2-11(18)6-14(15)19/h2-3,6-8H,4-5,9H2,1H3,(H,21,23)
InChIKeyIIVOKIGVFALIRO-UHFFFAOYSA-N
MW380.23 g/mol
LogP3.77
Rot. Bonds2

About methyl 5-[(2,4-dichlorophenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate

methyl 5-[(2,4-dichlorophenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate (PubChem CID 112523962) has the molecular formula C17H15Cl2N3O3 and a molecular weight of 380.23 g/mol. Its IUPAC name is methyl 5-[(2,4-dichlorophenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2,4-dichlorophenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
PubChem CID112523962
Molecular FormulaC17H15Cl2N3O3
Molecular Weight380.23 g/mol
Exact Mass379.05
IUPAC Namemethyl 5-[(2,4-dichlorophenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
SMILESCOC(=O)N1CCc2c(cncc2C(=O)Nc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C17H15Cl2N3O3/c1-25-17(24)22-5-4-12-10(9-22)7-20-8-13(12)16(23)21-15-3-2-11(18)6-14(15)19/h2-3,6-8H,4-5,9H2,1H3,(H,21,23)
InChIKeyIIVOKIGVFALIRO-UHFFFAOYSA-N
XLogP3.77
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[(2-methylphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112520462
5-N-(5-chloro-2-methylphenyl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112523206
7-acetyl-N-(4-chlorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112521021
methyl 5-[(4-phenoxyphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112523914
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
methyl 7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
CID 112535184
ethyl 5-[(2,3-dimethylphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112522574
5-N-(3-chloro-2-methylphenyl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112520617
methyl 5-[2-(4-methoxyphenyl)ethylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112528995
ethyl 5-[(5-methyl-1H-pyrazol-4-yl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112521742
methyl 5-(2-morpholin-4-ylethylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112520313

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2,4-dichlorophenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
The IUPAC name of methyl 5-[(2,4-dichlorophenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate (CID 112523962) is methyl 5-[(2,4-dichlorophenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[(2,4-dichlorophenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
The canonical SMILES for methyl 5-[(2,4-dichlorophenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate is COC(=O)N1CCc2c(cncc2C(=O)Nc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of methyl 5-[(2,4-dichlorophenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
The InChIKey is IIVOKIGVFALIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O3/c1-25-17(24)22-5-4-12-10(9-22)7-20-8-13(12)16(23)21-15-3-2-11(18)6-14(15)19/h2-3,6-8H,4-5,9H2,1H3,(H,21,23).
What are the key properties of methyl 5-[(2,4-dichlorophenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
methyl 5-[(2,4-dichlorophenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate has a molecular weight of 380.23 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2,4-dichlorophenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate is sourced from PubChem (CID 112523962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).