1-[6-[5-(4-fluoroanilino)-6-methyl-3-pyridinyl]quinolin-4-yl]pyrrolidin-3-ol

C25H23FN4O — CID 143915437

IUPAC1-[6-[5-(4-fluoroanilino)-6-methyl-3-pyridinyl]quinolin-4-yl]pyrrolidin-3-ol
SMILESCc1ncc(-c2ccc3nccc(N4CCC(O)C4)c3c2)cc1Nc1ccc(F)cc1
InChIInChI=1S/C25H23FN4O/c1-16-24(29-20-5-3-19(26)4-6-20)13-18(14-28-16)17-2-7-23-22(12-17)25(8-10-27-23)30-11-9-21(31)15-30/h2-8,10,12-14,21,29,31H,9,11,15H2,1H3
InChIKeyBDPNXNBINIEZIN-UHFFFAOYSA-N
MW414.48 g/mol
LogP5.06
Rot. Bonds4

About 1-[6-[5-(4-fluoroanilino)-6-methyl-3-pyridinyl]quinolin-4-yl]pyrrolidin-3-ol

1-[6-[5-(4-fluoroanilino)-6-methyl-3-pyridinyl]quinolin-4-yl]pyrrolidin-3-ol (PubChem CID 143915437) has the molecular formula C25H23FN4O and a molecular weight of 414.48 g/mol. Its IUPAC name is 1-[6-[5-(4-fluoroanilino)-6-methyl-3-pyridinyl]quinolin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[6-[5-(4-fluoroanilino)-6-methyl-3-pyridinyl]quinolin-4-yl]pyrrolidin-3-ol
PubChem CID143915437
Molecular FormulaC25H23FN4O
Molecular Weight414.48 g/mol
Exact Mass414.19
IUPAC Name1-[6-[5-(4-fluoroanilino)-6-methyl-3-pyridinyl]quinolin-4-yl]pyrrolidin-3-ol
SMILESCc1ncc(-c2ccc3nccc(N4CCC(O)C4)c3c2)cc1Nc1ccc(F)cc1
InChIInChI=1S/C25H23FN4O/c1-16-24(29-20-5-3-19(26)4-6-20)13-18(14-28-16)17-2-7-23-22(12-17)25(8-10-27-23)30-11-9-21(31)15-30/h2-8,10,12-14,21,29,31H,9,11,15H2,1H3
InChIKeyBDPNXNBINIEZIN-UHFFFAOYSA-N
XLogP5.06
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.48
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[6-[5-(4-fluoroanilino)-6-methyl-3-pyridinyl]quinolin-4-yl]pyrrolidin-3-ol 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

1-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-3-(4-methylphenyl)urea
CID 121318776
(3R)-1-(6-fluoroquinolin-4-yl)pyrrolidin-3-amine
CID 66954813
1-(6-methylquinolin-4-yl)piperidin-4-ol
CID 133467187
azepan-1-yl-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanone
CID 91952386
1-(6-fluoroquinolin-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 91952252
6-fluoro-4-(5-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)quinoline
CID 166682821
6-fluoro-4-piperidin-1-ylquinoline
CID 142561442
1-[2-[1-[(6-chloroquinolin-4-yl)amino]ethyl]-4-fluorophenyl]piperidin-4-ol
CID 133454264
4-[(3R)-3-methoxypyrrolidin-1-yl]-6-(5-methyl-1H-pyrazol-4-yl)quinoline;dihydrochloride
CID 68811812
2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetic acid
CID 121318145
tert-butyl N-[3-(6-fluoroquinolin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
CID 153288878
4-(4-methylpiperazin-1-yl)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline
CID 59860128

Frequently Asked Questions

What is the IUPAC name of 1-[6-[5-(4-fluoroanilino)-6-methyl-3-pyridinyl]quinolin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[6-[5-(4-fluoroanilino)-6-methyl-3-pyridinyl]quinolin-4-yl]pyrrolidin-3-ol (CID 143915437) is 1-[6-[5-(4-fluoroanilino)-6-methyl-3-pyridinyl]quinolin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[6-[5-(4-fluoroanilino)-6-methyl-3-pyridinyl]quinolin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[6-[5-(4-fluoroanilino)-6-methyl-3-pyridinyl]quinolin-4-yl]pyrrolidin-3-ol is Cc1ncc(-c2ccc3nccc(N4CCC(O)C4)c3c2)cc1Nc1ccc(F)cc1.
What is the InChIKey of 1-[6-[5-(4-fluoroanilino)-6-methyl-3-pyridinyl]quinolin-4-yl]pyrrolidin-3-ol?
The InChIKey is BDPNXNBINIEZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O/c1-16-24(29-20-5-3-19(26)4-6-20)13-18(14-28-16)17-2-7-23-22(12-17)25(8-10-27-23)30-11-9-21(31)15-30/h2-8,10,12-14,21,29,31H,9,11,15H2,1H3.
What are the key properties of 1-[6-[5-(4-fluoroanilino)-6-methyl-3-pyridinyl]quinolin-4-yl]pyrrolidin-3-ol?
1-[6-[5-(4-fluoroanilino)-6-methyl-3-pyridinyl]quinolin-4-yl]pyrrolidin-3-ol has a molecular weight of 414.48 g/mol, XLogP of 5.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[5-(4-fluoroanilino)-6-methyl-3-pyridinyl]quinolin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 143915437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).