ethyl 4-(2,4-difluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate

C18H15F2N3O2 — CID 19258406

IUPACethyl 4-(2,4-difluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)cc1F
InChIInChI=1S/C18H15F2N3O2/c1-3-25-18(24)13-9-21-17-12(6-4-10(2)22-17)16(13)23-15-7-5-11(19)8-14(15)20/h4-9H,3H2,1-2H3,(H,21,22,23)
InChIKeyKMEUVONMICTVQF-UHFFFAOYSA-N
MW343.33 g/mol
LogP4.14
Rot. Bonds4

About ethyl 4-(2,4-difluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate

ethyl 4-(2,4-difluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate (PubChem CID 19258406) has the molecular formula C18H15F2N3O2 and a molecular weight of 343.33 g/mol. Its IUPAC name is ethyl 4-(2,4-difluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,4-difluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
PubChem CID19258406
Molecular FormulaC18H15F2N3O2
Molecular Weight343.33 g/mol
Exact Mass343.11
IUPAC Nameethyl 4-(2,4-difluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)cc1F
InChIInChI=1S/C18H15F2N3O2/c1-3-25-18(24)13-9-21-17-12(6-4-10(2)22-17)16(13)23-15-7-5-11(19)8-14(15)20/h4-9H,3H2,1-2H3,(H,21,22,23)
InChIKeyKMEUVONMICTVQF-UHFFFAOYSA-N
XLogP4.14
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 5-amino-6,7,8,9-tetrahydro-2-methyl-4-phenylbenzo(1,8)naphthyridine-3-carboxylate
CID 6918662
ethyl 4-(5-acrylamido-2-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 118705186
Methyl 3-[(2-pyridin-4-ylquinazolin-4-yl)amino]benzoate
CID 1418188
3-(2-Pyridin-3-yl-quinazolin-4-ylamino)-benzoic acid methyl ester
CID 1186125
Ethyl 5-Amino-2-methyl-6,7,8,9-tetrahydrobenzo(b)(1,8)naphthyridine-3-carboxylate
CID 46861819
Methyl 5-Amino-2-methyl-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine-3-carboxylate
CID 46867254
methyl 5-amino-2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,8]naphthyridine-3-carboxylate
CID 46867255
Methyl 5-amino-2-methyl-6,7,8,9,10,11-hexahydrocycloocta[b][1,8]naphthyridine-3-carboxylate
CID 46867256
ethyl 5-amino-2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b][1,8]naphthyridine-3-carboxylate
CID 46867383
Ethyl 5-amino-2-methyl-6,7,8,9,10,11-hexahydrocycloocta[b][1,8]naphthyridine-3-carboxylate
CID 46867384
2-Methyl-1,8-naphthyridine-3-carboxylic acid
CID 2736908
2-{[2-(Quinolin-6-ylamino)pyrimidin-4-yl]amino}benzoic acid
CID 23647266

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,4-difluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-(2,4-difluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate (CID 19258406) is ethyl 4-(2,4-difluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(2,4-difluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(2,4-difluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)cc1F.
What is the InChIKey of ethyl 4-(2,4-difluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The InChIKey is KMEUVONMICTVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O2/c1-3-25-18(24)13-9-21-17-12(6-4-10(2)22-17)16(13)23-15-7-5-11(19)8-14(15)20/h4-9H,3H2,1-2H3,(H,21,22,23).
What are the key properties of ethyl 4-(2,4-difluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
ethyl 4-(2,4-difluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate has a molecular weight of 343.33 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,4-difluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 19258406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).