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

C20H19ClN4O2 — CID 146063553

IUPACpropan-2-yl 4-(4-cyanoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
SMILESCc1ccc2c(Nc3ccc(C#N)cc3)c(C(=O)OC(C)C)cnc2n1.Cl
InChIInChI=1S/C20H18N4O2.ClH/c1-12(2)26-20(25)17-11-22-19-16(9-4-13(3)23-19)18(17)24-15-7-5-14(10-21)6-8-15;/h4-9,11-12H,1-3H3,(H,22,23,24);1H
InChIKeyDVENNLSAXWVEIA-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.54
Rot. Bonds4

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

propan-2-yl 4-(4-cyanoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride (PubChem CID 146063553) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is propan-2-yl 4-(4-cyanoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namepropan-2-yl 4-(4-cyanoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
PubChem CID146063553
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Namepropan-2-yl 4-(4-cyanoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
SMILESCc1ccc2c(Nc3ccc(C#N)cc3)c(C(=O)OC(C)C)cnc2n1.Cl
InChIInChI=1S/C20H18N4O2.ClH/c1-12(2)26-20(25)17-11-22-19-16(9-4-13(3)23-19)18(17)24-15-7-5-14(10-21)6-8-15;/h4-9,11-12H,1-3H3,(H,22,23,24);1H
InChIKeyDVENNLSAXWVEIA-UHFFFAOYSA-N
XLogP4.54
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-ethoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132137
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 7-methyl-4-[4-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063577
4-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile
CID 53132181
propan-2-yl 4-(2,3-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063583
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
propyl 4-(3-cyanoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 50836623
methyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132016

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(4-cyanoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride?
The IUPAC name of propan-2-yl 4-(4-cyanoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride (CID 146063553) is propan-2-yl 4-(4-cyanoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for propan-2-yl 4-(4-cyanoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride?
The canonical SMILES for propan-2-yl 4-(4-cyanoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride is Cc1ccc2c(Nc3ccc(C#N)cc3)c(C(=O)OC(C)C)cnc2n1.Cl.
What is the InChIKey of propan-2-yl 4-(4-cyanoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride?
The InChIKey is DVENNLSAXWVEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2.ClH/c1-12(2)26-20(25)17-11-22-19-16(9-4-13(3)23-19)18(17)24-15-7-5-14(10-21)6-8-15;/h4-9,11-12H,1-3H3,(H,22,23,24);1H.
What are the key properties of propan-2-yl 4-(4-cyanoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride?
propan-2-yl 4-(4-cyanoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride has a molecular weight of 382.85 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(4-cyanoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 146063553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).