N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-[4-(2-hydroxypropan-2-yl)phenyl]benzamide

C33H35FN2O2 — CID 121332552

IUPACN-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-[4-(2-hydroxypropan-2-yl)phenyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(-c2ccc(C(C)(C)O)cc2)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C33H35FN2O2/c1-21(22-4-8-25(9-5-22)29-18-19-35-31-17-16-28(34)20-30(29)31)36-32(37)26-10-6-23(7-11-26)24-12-14-27(15-13-24)33(2,3)38/h6-7,10-22,25,38H,4-5,8-9H2,1-3H3,(H,36,37)/t21-,22?,25?/m1/s1
InChIKeyBQVAASIXXPTWJL-PQXIJOGNSA-N
MW510.65 g/mol
LogP7.36
Rot. Bonds6

About N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-[4-(2-hydroxypropan-2-yl)phenyl]benzamide

N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-[4-(2-hydroxypropan-2-yl)phenyl]benzamide (PubChem CID 121332552) has the molecular formula C33H35FN2O2 and a molecular weight of 510.65 g/mol. Its IUPAC name is N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-[4-(2-hydroxypropan-2-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-[4-(2-hydroxypropan-2-yl)phenyl]benzamide
PubChem CID121332552
Molecular FormulaC33H35FN2O2
Molecular Weight510.65 g/mol
Exact Mass510.27
IUPAC NameN-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-[4-(2-hydroxypropan-2-yl)phenyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(-c2ccc(C(C)(C)O)cc2)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C33H35FN2O2/c1-21(22-4-8-25(9-5-22)29-18-19-35-31-17-16-28(34)20-30(29)31)36-32(37)26-10-6-23(7-11-26)24-12-14-27(15-13-24)33(2,3)38/h6-7,10-22,25,38H,4-5,8-9H2,1-3H3,(H,36,37)/t21-,22?,25?/m1/s1
InChIKeyBQVAASIXXPTWJL-PQXIJOGNSA-N
XLogP7.36
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.65
LogP ≤ 57.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-[4-(2-hydroxypropan-2-yl)phenyl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-[4-(2-hydroxypropan-2-yl)phenyl]benzamide?
The IUPAC name of N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-[4-(2-hydroxypropan-2-yl)phenyl]benzamide (CID 121332552) is N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-[4-(2-hydroxypropan-2-yl)phenyl]benzamide.
What is the SMILES notation for N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-[4-(2-hydroxypropan-2-yl)phenyl]benzamide?
The canonical SMILES for N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-[4-(2-hydroxypropan-2-yl)phenyl]benzamide is C[C@@H](NC(=O)c1ccc(-c2ccc(C(C)(C)O)cc2)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-[4-(2-hydroxypropan-2-yl)phenyl]benzamide?
The InChIKey is BQVAASIXXPTWJL-PQXIJOGNSA-N. The full InChI is InChI=1S/C33H35FN2O2/c1-21(22-4-8-25(9-5-22)29-18-19-35-31-17-16-28(34)20-30(29)31)36-32(37)26-10-6-23(7-11-26)24-12-14-27(15-13-24)33(2,3)38/h6-7,10-22,25,38H,4-5,8-9H2,1-3H3,(H,36,37)/t21-,22?,25?/m1/s1.
What are the key properties of N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-[4-(2-hydroxypropan-2-yl)phenyl]benzamide?
N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-[4-(2-hydroxypropan-2-yl)phenyl]benzamide has a molecular weight of 510.65 g/mol, XLogP of 7.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-[4-(2-hydroxypropan-2-yl)phenyl]benzamide is sourced from PubChem (CID 121332552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).