2-[7-fluoro-4-methyl-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinolin-2-yl]phenol

C24H25FN4O — CID 135503780

IUPAC2-[7-fluoro-4-methyl-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinolin-2-yl]phenol
SMILESCc1nc2cc(F)ccc2c2c1nc(-c1ccccc1O)n2CCC1CCNCC1
InChIInChI=1S/C24H25FN4O/c1-15-22-23(18-7-6-17(25)14-20(18)27-15)29(13-10-16-8-11-26-12-9-16)24(28-22)19-4-2-3-5-21(19)30/h2-7,14,16,26,30H,8-13H2,1H3
InChIKeyIBQNWOJEUVNXJV-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.79
Rot. Bonds4

About 2-[7-fluoro-4-methyl-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinolin-2-yl]phenol

2-[7-fluoro-4-methyl-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinolin-2-yl]phenol (PubChem CID 135503780) has the molecular formula C24H25FN4O and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-[7-fluoro-4-methyl-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinolin-2-yl]phenol.

Molecular Properties

Compound Name2-[7-fluoro-4-methyl-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinolin-2-yl]phenol
PubChem CID135503780
Molecular FormulaC24H25FN4O
Molecular Weight404.49 g/mol
Exact Mass404.20
IUPAC Name2-[7-fluoro-4-methyl-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinolin-2-yl]phenol
SMILESCc1nc2cc(F)ccc2c2c1nc(-c1ccccc1O)n2CCC1CCNCC1
InChIInChI=1S/C24H25FN4O/c1-15-22-23(18-7-6-17(25)14-20(18)27-15)29(13-10-16-8-11-26-12-9-16)24(28-22)19-4-2-3-5-21(19)30/h2-7,14,16,26,30H,8-13H2,1H3
InChIKeyIBQNWOJEUVNXJV-UHFFFAOYSA-N
XLogP4.79
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Desmethylastemizole
CID 155805
2-(4-(Benzylamino)quinazolin-2-yl)phenol
CID 915456
2-{4-[(3s)-Pyrrolidin-3-Ylamino]quinazolin-2-Yl}phenol
CID 135566381
2-[[(1-Prop-2-enylbenzimidazol-2-yl)amino]methyl]phenol
CID 890291
2-{4-[(Pyridin-3-ylmethyl)-amino]-quinazolin-2-yl}-phenol
CID 935994
2-(((1-(2-(piperidin-1-yl)ethyl)-1H-benzo[d]imidazol-2-yl)amino)methyl)phenol
CID 1090110
4-[[4-(4-Methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol;hydrochloride
CID 2929712
3-{[2-(1H-Benzimidazol-1-YL)-6-{[2-(diethylamino)ethyl]amino}pyrimidin-4-YL]amino}-4-methylphenol
CID 9547983
6-[4-(1-phenylethylamino)-1H-quinazolin-2-ylidene]-1-cyclohexa-2,4-dienone
CID 2884035
2-{3-[(2,6-Dimethylphenyl)amino]imidazo[1,2-a]pyrimidin-2-yl}phenol
CID 15990343
2-(4-(4-Methylpiperidin-1-yl)quinazolin-2-yl)phenol
CID 710985
2-[4-(1-Pyrrolidinyl)-2-quinazolinyl]phenol
CID 781262

Frequently Asked Questions

What is the IUPAC name of 2-[7-fluoro-4-methyl-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinolin-2-yl]phenol?
The IUPAC name of 2-[7-fluoro-4-methyl-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinolin-2-yl]phenol (CID 135503780) is 2-[7-fluoro-4-methyl-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinolin-2-yl]phenol.
What is the SMILES notation for 2-[7-fluoro-4-methyl-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinolin-2-yl]phenol?
The canonical SMILES for 2-[7-fluoro-4-methyl-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinolin-2-yl]phenol is Cc1nc2cc(F)ccc2c2c1nc(-c1ccccc1O)n2CCC1CCNCC1.
What is the InChIKey of 2-[7-fluoro-4-methyl-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinolin-2-yl]phenol?
The InChIKey is IBQNWOJEUVNXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O/c1-15-22-23(18-7-6-17(25)14-20(18)27-15)29(13-10-16-8-11-26-12-9-16)24(28-22)19-4-2-3-5-21(19)30/h2-7,14,16,26,30H,8-13H2,1H3.
What are the key properties of 2-[7-fluoro-4-methyl-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinolin-2-yl]phenol?
2-[7-fluoro-4-methyl-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinolin-2-yl]phenol has a molecular weight of 404.49 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-fluoro-4-methyl-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinolin-2-yl]phenol is sourced from PubChem (CID 135503780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).