methyl 7-[4-(dimethylamino)benzoyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate

C19H21N3O3 — CID 112535220

IUPACmethyl 7-[4-(dimethylamino)benzoyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
SMILESCOC(=O)c1cncc2c1CCN(C(=O)c1ccc(N(C)C)cc1)C2
InChIInChI=1S/C19H21N3O3/c1-21(2)15-6-4-13(5-7-15)18(23)22-9-8-16-14(12-22)10-20-11-17(16)19(24)25-3/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyXPKPVBVFTPNVNI-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.13
Rot. Bonds3

About methyl 7-[4-(dimethylamino)benzoyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate

methyl 7-[4-(dimethylamino)benzoyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate (PubChem CID 112535220) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is methyl 7-[4-(dimethylamino)benzoyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-[4-(dimethylamino)benzoyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
PubChem CID112535220
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Namemethyl 7-[4-(dimethylamino)benzoyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
SMILESCOC(=O)c1cncc2c1CCN(C(=O)c1ccc(N(C)C)cc1)C2
InChIInChI=1S/C19H21N3O3/c1-21(2)15-6-4-13(5-7-15)18(23)22-9-8-16-14(12-22)10-20-11-17(16)19(24)25-3/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyXPKPVBVFTPNVNI-UHFFFAOYSA-N
XLogP2.13
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 7-[4-(dimethylamino)benzoyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
CID 112535184
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-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 110476737
methyl 5-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112530449
7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[4-(dimethylamino)phenyl]methanone
CID 110661408
6-[4-(dimethylamino)benzoyl]-2-(2-methoxyethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 91894524
methyl 5-amino-1-[4-(dimethylamino)benzoyl]pyrazole-4-carboxylate
CID 3449796
7-(2-methoxy-5-methylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 112532738
6-[4-(dimethylamino)benzoyl]-2-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 91894565
[4-(dimethylamino)phenyl]-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 92608012
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-(dimethylamino)benzoyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate?
The IUPAC name of methyl 7-[4-(dimethylamino)benzoyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate (CID 112535220) is methyl 7-[4-(dimethylamino)benzoyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate.
What is the SMILES notation for methyl 7-[4-(dimethylamino)benzoyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate?
The canonical SMILES for methyl 7-[4-(dimethylamino)benzoyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate is COC(=O)c1cncc2c1CCN(C(=O)c1ccc(N(C)C)cc1)C2.
What is the InChIKey of methyl 7-[4-(dimethylamino)benzoyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate?
The InChIKey is XPKPVBVFTPNVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-21(2)15-6-4-13(5-7-15)18(23)22-9-8-16-14(12-22)10-20-11-17(16)19(24)25-3/h4-7,10-11H,8-9,12H2,1-3H3.
What are the key properties of methyl 7-[4-(dimethylamino)benzoyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate?
methyl 7-[4-(dimethylamino)benzoyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate has a molecular weight of 339.40 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[4-(dimethylamino)benzoyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate is sourced from PubChem (CID 112535220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).