propyl 4-(2-hydroxy-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate

C20H21N3O3 — CID 50836500

IUPACpropyl 4-(2-hydroxy-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)cc1O
InChIInChI=1S/C20H21N3O3/c1-4-9-26-20(25)15-11-21-19-14(7-6-13(3)22-19)18(15)23-16-8-5-12(2)10-17(16)24/h5-8,10-11,24H,4,9H2,1-3H3,(H,21,22,23)
InChIKeyQNSYICDSCXCJKG-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.26
Rot. Bonds5

About propyl 4-(2-hydroxy-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate

propyl 4-(2-hydroxy-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate (PubChem CID 50836500) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is propyl 4-(2-hydroxy-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namepropyl 4-(2-hydroxy-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
PubChem CID50836500
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Namepropyl 4-(2-hydroxy-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)cc1O
InChIInChI=1S/C20H21N3O3/c1-4-9-26-20(25)15-11-21-19-14(7-6-13(3)22-19)18(15)23-16-8-5-12(2)10-17(16)24/h5-8,10-11,24H,4,9H2,1-3H3,(H,21,22,23)
InChIKeyQNSYICDSCXCJKG-UHFFFAOYSA-N
XLogP4.26
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

propyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 50836411
propyl 4-anilino-7-methyl-1,8-naphthyridine-3-carboxylate
CID 50836366
propyl 4-(3-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 50836368
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-(2,3-dihydro-1H-inden-5-ylamino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 50836649
propyl 4-(3-cyanoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 50836623
propan-2-yl 4-(2,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132129
ethyl 4-(2,4-dimethoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258401
ethyl 4-(5-chloro-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258435
ethyl 4-(5-chloro-2-methoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258344
methyl 4-(2-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132045

Frequently Asked Questions

What is the IUPAC name of propyl 4-(2-hydroxy-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of propyl 4-(2-hydroxy-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate (CID 50836500) is propyl 4-(2-hydroxy-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for propyl 4-(2-hydroxy-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for propyl 4-(2-hydroxy-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate is CCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)cc1O.
What is the InChIKey of propyl 4-(2-hydroxy-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The InChIKey is QNSYICDSCXCJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-4-9-26-20(25)15-11-21-19-14(7-6-13(3)22-19)18(15)23-16-8-5-12(2)10-17(16)24/h5-8,10-11,24H,4,9H2,1-3H3,(H,21,22,23).
What are the key properties of propyl 4-(2-hydroxy-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
propyl 4-(2-hydroxy-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate has a molecular weight of 351.41 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(2-hydroxy-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 50836500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).