methyl 4-[(3-chlorophenyl)methylamino]-7-methyl-1,8-naphthyridine-3-carboxylate

C18H16ClN3O2 — CID 53131998

IUPACmethyl 4-[(3-chlorophenyl)methylamino]-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cnc2nc(C)ccc2c1NCc1cccc(Cl)c1
InChIInChI=1S/C18H16ClN3O2/c1-11-6-7-14-16(20-9-12-4-3-5-13(19)8-12)15(18(23)24-2)10-21-17(14)22-11/h3-8,10H,9H2,1-2H3,(H,20,21,22)
InChIKeyCGAMACLCPRUBRR-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.99
Rot. Bonds4

About methyl 4-[(3-chlorophenyl)methylamino]-7-methyl-1,8-naphthyridine-3-carboxylate

methyl 4-[(3-chlorophenyl)methylamino]-7-methyl-1,8-naphthyridine-3-carboxylate (PubChem CID 53131998) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is methyl 4-[(3-chlorophenyl)methylamino]-7-methyl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3-chlorophenyl)methylamino]-7-methyl-1,8-naphthyridine-3-carboxylate
PubChem CID53131998
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Namemethyl 4-[(3-chlorophenyl)methylamino]-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cnc2nc(C)ccc2c1NCc1cccc(Cl)c1
InChIInChI=1S/C18H16ClN3O2/c1-11-6-7-14-16(20-9-12-4-3-5-13(19)8-12)15(18(23)24-2)10-21-17(14)22-11/h3-8,10H,9H2,1-2H3,(H,20,21,22)
InChIKeyCGAMACLCPRUBRR-UHFFFAOYSA-N
XLogP3.99
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(3-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063443
methyl 4-(3-chloro-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132023
methyl 4-(3-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132008
methyl 4-(3-chloro-2-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132064
methyl 4-[(3-chlorophenyl)methylamino]pyrimidine-5-carboxylate
CID 114214358
methyl 4-(2-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132045
methyl 4-(3-chloro-4-methoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063412
ethyl 4-(5-chloro-2-methoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258344
ethyl 4-(5-chloro-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258435
methyl 7-methyl-4-[3-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate
CID 53132058
propyl 4-(3-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 50836368
methyl 4-(4-bromoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132036

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-chlorophenyl)methylamino]-7-methyl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of methyl 4-[(3-chlorophenyl)methylamino]-7-methyl-1,8-naphthyridine-3-carboxylate (CID 53131998) is methyl 4-[(3-chlorophenyl)methylamino]-7-methyl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 4-[(3-chlorophenyl)methylamino]-7-methyl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 4-[(3-chlorophenyl)methylamino]-7-methyl-1,8-naphthyridine-3-carboxylate is COC(=O)c1cnc2nc(C)ccc2c1NCc1cccc(Cl)c1.
What is the InChIKey of methyl 4-[(3-chlorophenyl)methylamino]-7-methyl-1,8-naphthyridine-3-carboxylate?
The InChIKey is CGAMACLCPRUBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-11-6-7-14-16(20-9-12-4-3-5-13(19)8-12)15(18(23)24-2)10-21-17(14)22-11/h3-8,10H,9H2,1-2H3,(H,20,21,22).
What are the key properties of methyl 4-[(3-chlorophenyl)methylamino]-7-methyl-1,8-naphthyridine-3-carboxylate?
methyl 4-[(3-chlorophenyl)methylamino]-7-methyl-1,8-naphthyridine-3-carboxylate has a molecular weight of 341.80 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-chlorophenyl)methylamino]-7-methyl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 53131998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).