propan-2-yl 4-(2-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate

C19H18ClN3O2 — CID 53132136

IUPACpropan-2-yl 4-(2-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCc1ccc2c(Nc3ccccc3Cl)c(C(=O)OC(C)C)cnc2n1
InChIInChI=1S/C19H18ClN3O2/c1-11(2)25-19(24)14-10-21-18-13(9-8-12(3)22-18)17(14)23-16-7-5-4-6-15(16)20/h4-11H,1-3H3,(H,21,22,23)
InChIKeyWSMNPCSKANNFRF-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.90
Rot. Bonds4

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

propan-2-yl 4-(2-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate (PubChem CID 53132136) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is propan-2-yl 4-(2-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-(2-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
PubChem CID53132136
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Namepropan-2-yl 4-(2-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCc1ccc2c(Nc3ccccc3Cl)c(C(=O)OC(C)C)cnc2n1
InChIInChI=1S/C19H18ClN3O2/c1-11(2)25-19(24)14-10-21-18-13(9-8-12(3)22-18)17(14)23-16-7-5-4-6-15(16)20/h4-11H,1-3H3,(H,21,22,23)
InChIKeyWSMNPCSKANNFRF-UHFFFAOYSA-N
XLogP4.90
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
methyl 4-(3-chloro-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132023
methyl 4-(3-chloro-2-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132064
propan-2-yl 4-(4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132109
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
methyl 4-(2-iodoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132018
propan-2-yl 4-(4-cyanoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063553
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-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of propan-2-yl 4-(2-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate (CID 53132136) is propan-2-yl 4-(2-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 4-(2-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 4-(2-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate is Cc1ccc2c(Nc3ccccc3Cl)c(C(=O)OC(C)C)cnc2n1.
What is the InChIKey of propan-2-yl 4-(2-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The InChIKey is WSMNPCSKANNFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-11(2)25-19(24)14-10-21-18-13(9-8-12(3)22-18)17(14)23-16-7-5-4-6-15(16)20/h4-11H,1-3H3,(H,21,22,23).
What are the key properties of propan-2-yl 4-(2-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
propan-2-yl 4-(2-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate has a molecular weight of 355.83 g/mol, XLogP of 4.90, 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-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 53132136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).