methyl 4-(2-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate

C19H19N3O2 — CID 53132045

IUPACmethyl 4-(2-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCCc1ccccc1Nc1c(C(=O)OC)cnc2nc(C)ccc12
InChIInChI=1S/C19H19N3O2/c1-4-13-7-5-6-8-16(13)22-17-14-10-9-12(2)21-18(14)20-11-15(17)19(23)24-3/h5-11H,4H2,1-3H3,(H,20,21,22)
InChIKeyNEOZCDYWBSOKFU-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.03
Rot. Bonds4

About methyl 4-(2-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate

methyl 4-(2-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate (PubChem CID 53132045) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is methyl 4-(2-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
PubChem CID53132045
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Namemethyl 4-(2-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCCc1ccccc1Nc1c(C(=O)OC)cnc2nc(C)ccc12
InChIInChI=1S/C19H19N3O2/c1-4-13-7-5-6-8-16(13)22-17-14-10-9-12(2)21-18(14)20-11-15(17)19(23)24-3/h5-11H,4H2,1-3H3,(H,20,21,22)
InChIKeyNEOZCDYWBSOKFU-UHFFFAOYSA-N
XLogP4.03
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(2-iodoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132018
methyl 4-(3-chloro-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132023
methyl 4-(3-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063443
methyl 4-(3-chloro-2-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132064
methyl 4-(4-bromo-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063450
methyl 4-(4-bromoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132036
methyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132016
methyl 4-(3-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132008
propan-2-yl 4-(2-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132136
propyl 4-anilino-7-methyl-1,8-naphthyridine-3-carboxylate
CID 50836366
methyl 7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxylate
CID 53132011
ethyl 4-(2,4-dimethoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258401

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of methyl 4-(2-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate (CID 53132045) is methyl 4-(2-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 4-(2-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 4-(2-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate is CCc1ccccc1Nc1c(C(=O)OC)cnc2nc(C)ccc12.
What is the InChIKey of methyl 4-(2-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The InChIKey is NEOZCDYWBSOKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-4-13-7-5-6-8-16(13)22-17-14-10-9-12(2)21-18(14)20-11-15(17)19(23)24-3/h5-11H,4H2,1-3H3,(H,20,21,22).
What are the key properties of methyl 4-(2-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
methyl 4-(2-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 53132045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).