ethyl 4-(5-chloro-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate

C19H18ClN3O2 — CID 19258435

IUPACethyl 4-(5-chloro-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2nc(C)ccc2c1Nc1cc(Cl)ccc1C
InChIInChI=1S/C19H18ClN3O2/c1-4-25-19(24)15-10-21-18-14(8-6-12(3)22-18)17(15)23-16-9-13(20)7-5-11(16)2/h5-10H,4H2,1-3H3,(H,21,22,23)
InChIKeyIOKNOTPUFWWNNG-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.82
Rot. Bonds4

About ethyl 4-(5-chloro-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate

ethyl 4-(5-chloro-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate (PubChem CID 19258435) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is ethyl 4-(5-chloro-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(5-chloro-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
PubChem CID19258435
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Nameethyl 4-(5-chloro-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2nc(C)ccc2c1Nc1cc(Cl)ccc1C
InChIInChI=1S/C19H18ClN3O2/c1-4-25-19(24)15-10-21-18-14(8-6-12(3)22-18)17(15)23-16-9-13(20)7-5-11(16)2/h5-10H,4H2,1-3H3,(H,21,22,23)
InChIKeyIOKNOTPUFWWNNG-UHFFFAOYSA-N
XLogP4.82
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(5-chloro-2-methoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258344
ethyl 4-(3-chloro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258432
ethyl 4-(3-fluoro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063486
ethyl 4-(2-chloro-5-nitroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258474
ethyl 4-(2,4-dimethoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258401
ethyl 4-[4-[(4-chlorophenyl)methoxy]anilino]-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258349
propyl 4-(4-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063644
propyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 50836585
propyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 50836411
ethyl 4-[[(2S)-1-hydroxypropan-2-yl]amino]-7-methyl-1,8-naphthyridine-3-carboxylate
CID 10017051
propyl 4-(2-hydroxy-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 50836500
ethyl 7-methyl-4-(4-phenoxyanilino)-1,8-naphthyridine-3-carboxylate
CID 19258365

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-chloro-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-(5-chloro-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate (CID 19258435) is ethyl 4-(5-chloro-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(5-chloro-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(5-chloro-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cnc2nc(C)ccc2c1Nc1cc(Cl)ccc1C.
What is the InChIKey of ethyl 4-(5-chloro-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The InChIKey is IOKNOTPUFWWNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-4-25-19(24)15-10-21-18-14(8-6-12(3)22-18)17(15)23-16-9-13(20)7-5-11(16)2/h5-10H,4H2,1-3H3,(H,21,22,23).
What are the key properties of ethyl 4-(5-chloro-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
ethyl 4-(5-chloro-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate has a molecular weight of 355.83 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-chloro-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 19258435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).