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

C19H20ClN3O3 — CID 146063594

IUPACpropan-2-yl 4-(4-hydroxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
SMILESCc1ccc2c(Nc3ccc(O)cc3)c(C(=O)OC(C)C)cnc2n1.Cl
InChIInChI=1S/C19H19N3O3.ClH/c1-11(2)25-19(24)16-10-20-18-15(9-4-12(3)21-18)17(16)22-13-5-7-14(23)8-6-13;/h4-11,23H,1-3H3,(H,20,21,22);1H
InChIKeyWYASKJYMPWNIJG-UHFFFAOYSA-N
MW373.84 g/mol
LogP4.37
Rot. Bonds4

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

propan-2-yl 4-(4-hydroxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride (PubChem CID 146063594) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is propan-2-yl 4-(4-hydroxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namepropan-2-yl 4-(4-hydroxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
PubChem CID146063594
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Namepropan-2-yl 4-(4-hydroxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
SMILESCc1ccc2c(Nc3ccc(O)cc3)c(C(=O)OC(C)C)cnc2n1.Cl
InChIInChI=1S/C19H19N3O3.ClH/c1-11(2)25-19(24)16-10-20-18-15(9-4-12(3)21-18)17(16)22-13-5-7-14(23)8-6-13;/h4-11,23H,1-3H3,(H,20,21,22);1H
InChIKeyWYASKJYMPWNIJG-UHFFFAOYSA-N
XLogP4.37
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

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
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
propan-2-yl 4-(2,3-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063583
propan-2-yl 4-(2,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132129
propan-2-yl 4-(2-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132136
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 7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxylate
CID 53132011

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(4-hydroxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride?
The IUPAC name of propan-2-yl 4-(4-hydroxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride (CID 146063594) is propan-2-yl 4-(4-hydroxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for propan-2-yl 4-(4-hydroxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride?
The canonical SMILES for propan-2-yl 4-(4-hydroxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride is Cc1ccc2c(Nc3ccc(O)cc3)c(C(=O)OC(C)C)cnc2n1.Cl.
What is the InChIKey of propan-2-yl 4-(4-hydroxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride?
The InChIKey is WYASKJYMPWNIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3.ClH/c1-11(2)25-19(24)16-10-20-18-15(9-4-12(3)21-18)17(16)22-13-5-7-14(23)8-6-13;/h4-11,23H,1-3H3,(H,20,21,22);1H.
What are the key properties of propan-2-yl 4-(4-hydroxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride?
propan-2-yl 4-(4-hydroxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride has a molecular weight of 373.84 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(4-hydroxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 146063594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).