2-ethyl-7-(8-fluoro-2-methylquinolin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C19H19FN4 — CID 133388576

IUPAC2-ethyl-7-(8-fluoro-2-methylquinolin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCCc1ncc2c(n1)CN(c1cc(C)nc3c(F)cccc13)CC2
InChIInChI=1S/C19H19FN4/c1-3-18-21-10-13-7-8-24(11-16(13)23-18)17-9-12(2)22-19-14(17)5-4-6-15(19)20/h4-6,9-10H,3,7-8,11H2,1-2H3
InChIKeyUBZNZINNFHYQTK-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.60
Rot. Bonds2

About 2-ethyl-7-(8-fluoro-2-methylquinolin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

2-ethyl-7-(8-fluoro-2-methylquinolin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 133388576) has the molecular formula C19H19FN4 and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-ethyl-7-(8-fluoro-2-methylquinolin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-ethyl-7-(8-fluoro-2-methylquinolin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID133388576
Molecular FormulaC19H19FN4
Molecular Weight322.39 g/mol
Exact Mass322.16
IUPAC Name2-ethyl-7-(8-fluoro-2-methylquinolin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCCc1ncc2c(n1)CN(c1cc(C)nc3c(F)cccc13)CC2
InChIInChI=1S/C19H19FN4/c1-3-18-21-10-13-7-8-24(11-16(13)23-18)17-9-12(2)22-19-14(17)5-4-6-15(19)20/h4-6,9-10H,3,7-8,11H2,1-2H3
InChIKeyUBZNZINNFHYQTK-UHFFFAOYSA-N
XLogP3.60
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-7-(8-fluoro-2-methylquinolin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-fluoro-2-methyl-4-piperazin-1-ylquinoline
CID 39732499
8-fluoro-2-methyl-4-(4-propyl-1,4-diazepan-1-yl)quinoline
CID 133388826
8-fluoro-2-methyl-4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline
CID 133368435
4-(aminomethyl)-1-(8-fluoro-2-methylquinolin-4-yl)piperidin-4-ol
CID 136548281
4-(6-azaspiro[3.4]octan-6-yl)-8-fluoro-2-methylquinoline
CID 133369048
(2S)-2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[(2-fluorophenyl)methyl]propanamide
CID 95612697
[1-(8-fluoro-2-methylquinolin-4-yl)-4-phenylpiperidin-4-yl]methanol
CID 167867904
1-(8-fluoro-2-methylquinolin-4-yl)-3-methylazetidine-3-carboxamide
CID 138001197
8-fluoro-4-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]-2-methylquinoline
CID 133387080
9-(8-fluoro-2-methylquinolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479209
2-ethyl-7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 56781611
1-(8-fluoro-2-methylquinolin-4-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052496

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-(8-fluoro-2-methylquinolin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 2-ethyl-7-(8-fluoro-2-methylquinolin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 133388576) is 2-ethyl-7-(8-fluoro-2-methylquinolin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-ethyl-7-(8-fluoro-2-methylquinolin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-ethyl-7-(8-fluoro-2-methylquinolin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is CCc1ncc2c(n1)CN(c1cc(C)nc3c(F)cccc13)CC2.
What is the InChIKey of 2-ethyl-7-(8-fluoro-2-methylquinolin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is UBZNZINNFHYQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4/c1-3-18-21-10-13-7-8-24(11-16(13)23-18)17-9-12(2)22-19-14(17)5-4-6-15(19)20/h4-6,9-10H,3,7-8,11H2,1-2H3.
What are the key properties of 2-ethyl-7-(8-fluoro-2-methylquinolin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
2-ethyl-7-(8-fluoro-2-methylquinolin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 322.39 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-(8-fluoro-2-methylquinolin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 133388576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).