propan-2-yl 4-(2,3-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride

C21H24ClN3O2 — CID 146063583

IUPACpropan-2-yl 4-(2,3-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
SMILESCc1ccc2c(Nc3cccc(C)c3C)c(C(=O)OC(C)C)cnc2n1.Cl
InChIInChI=1S/C21H23N3O2.ClH/c1-12(2)26-21(25)17-11-22-20-16(10-9-14(4)23-20)19(17)24-18-8-6-7-13(3)15(18)5;/h6-12H,1-5H3,(H,22,23,24);1H
InChIKeyUVCVZOFSRKIRTA-UHFFFAOYSA-N
MW385.90 g/mol
LogP5.29
Rot. Bonds4

About propan-2-yl 4-(2,3-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride

propan-2-yl 4-(2,3-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride (PubChem CID 146063583) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is propan-2-yl 4-(2,3-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namepropan-2-yl 4-(2,3-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
PubChem CID146063583
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Namepropan-2-yl 4-(2,3-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
SMILESCc1ccc2c(Nc3cccc(C)c3C)c(C(=O)OC(C)C)cnc2n1.Cl
InChIInChI=1S/C21H23N3O2.ClH/c1-12(2)26-21(25)17-11-22-20-16(10-9-14(4)23-20)19(17)24-18-8-6-7-13(3)15(18)5;/h6-12H,1-5H3,(H,22,23,24);1H
InChIKeyUVCVZOFSRKIRTA-UHFFFAOYSA-N
XLogP5.29
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.90
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 4-(2-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132136
propan-2-yl 4-(2,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132129
propan-2-yl 4-(4-hydroxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063594
propan-2-yl 4-(4-iodoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063615
propan-2-yl 4-(4-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063613
propan-2-yl 4-(4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132109
methyl 4-(3-chloro-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132023
propan-2-yl 4-(4-cyanoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063553
propan-2-yl 4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132137
propan-2-yl 7-methyl-4-[4-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063577
methyl 4-(2-iodoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132018
methyl 4-(2-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132045

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(2,3-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride?
The IUPAC name of propan-2-yl 4-(2,3-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride (CID 146063583) is propan-2-yl 4-(2,3-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for propan-2-yl 4-(2,3-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride?
The canonical SMILES for propan-2-yl 4-(2,3-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride is Cc1ccc2c(Nc3cccc(C)c3C)c(C(=O)OC(C)C)cnc2n1.Cl.
What is the InChIKey of propan-2-yl 4-(2,3-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride?
The InChIKey is UVCVZOFSRKIRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2.ClH/c1-12(2)26-21(25)17-11-22-20-16(10-9-14(4)23-20)19(17)24-18-8-6-7-13(3)15(18)5;/h6-12H,1-5H3,(H,22,23,24);1H.
What are the key properties of propan-2-yl 4-(2,3-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride?
propan-2-yl 4-(2,3-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride has a molecular weight of 385.90 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(2,3-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 146063583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).