propyl 4-(4-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride

C19H19Cl2N3O2 — CID 146063644

IUPACpropyl 4-(4-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
SMILESCCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Cl)cc1.Cl
InChIInChI=1S/C19H18ClN3O2.ClH/c1-3-10-25-19(24)16-11-21-18-15(9-4-12(2)22-18)17(16)23-14-7-5-13(20)6-8-14;/h4-9,11H,3,10H2,1-2H3,(H,21,22,23);1H
InChIKeyDKSYQSHEWNUOSN-UHFFFAOYSA-N
MW392.29 g/mol
LogP5.32
Rot. Bonds5

About propyl 4-(4-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride

propyl 4-(4-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride (PubChem CID 146063644) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is propyl 4-(4-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namepropyl 4-(4-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
PubChem CID146063644
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC Namepropyl 4-(4-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
SMILESCCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Cl)cc1.Cl
InChIInChI=1S/C19H18ClN3O2.ClH/c1-3-10-25-19(24)16-11-21-18-15(9-4-12(2)22-18)17(16)23-14-7-5-13(20)6-8-14;/h4-9,11H,3,10H2,1-2H3,(H,21,22,23);1H
InChIKeyDKSYQSHEWNUOSN-UHFFFAOYSA-N
XLogP5.32
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.29
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 50836585
propyl 4-anilino-7-methyl-1,8-naphthyridine-3-carboxylate
CID 50836366
propyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 50836411
ethyl 4-[4-[(4-chlorophenyl)methoxy]anilino]-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258349
propyl 4-(3-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 50836368
propyl 4-(2,3-dihydro-1H-inden-5-ylamino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 50836649
ethyl 4-(3-chloro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258432
propyl 4-(3-cyanoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 50836623
ethyl 4-(3-fluoro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063486
propyl 4-(2-hydroxy-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 50836500
ethyl 4-(5-chloro-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258435
ethyl 7-methyl-4-(4-phenoxyanilino)-1,8-naphthyridine-3-carboxylate
CID 19258365

Frequently Asked Questions

What is the IUPAC name of propyl 4-(4-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride?
The IUPAC name of propyl 4-(4-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride (CID 146063644) is propyl 4-(4-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for propyl 4-(4-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride?
The canonical SMILES for propyl 4-(4-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride is CCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Cl)cc1.Cl.
What is the InChIKey of propyl 4-(4-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride?
The InChIKey is DKSYQSHEWNUOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2.ClH/c1-3-10-25-19(24)16-11-21-18-15(9-4-12(2)22-18)17(16)23-14-7-5-13(20)6-8-14;/h4-9,11H,3,10H2,1-2H3,(H,21,22,23);1H.
What are the key properties of propyl 4-(4-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride?
propyl 4-(4-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride has a molecular weight of 392.29 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(4-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 146063644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).