2-hydroxy-N-[1-[7-methyl-2-(2-methylphenyl)quinazolin-4-yl]piperidin-4-yl]hexanamide

C27H34N4O2 — CID 159216770

IUPAC2-hydroxy-N-[1-[7-methyl-2-(2-methylphenyl)quinazolin-4-yl]piperidin-4-yl]hexanamide
SMILESCCCCC(O)C(=O)NC1CCN(c2nc(-c3ccccc3C)nc3cc(C)ccc23)CC1
InChIInChI=1S/C27H34N4O2/c1-4-5-10-24(32)27(33)28-20-13-15-31(16-14-20)26-22-12-11-18(2)17-23(22)29-25(30-26)21-9-7-6-8-19(21)3/h6-9,11-12,17,20,24,32H,4-5,10,13-16H2,1-3H3,(H,28,33)
InChIKeyIFYMJWAXHPWNCR-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.55
Rot. Bonds7

About 2-hydroxy-N-[1-[7-methyl-2-(2-methylphenyl)quinazolin-4-yl]piperidin-4-yl]hexanamide

2-hydroxy-N-[1-[7-methyl-2-(2-methylphenyl)quinazolin-4-yl]piperidin-4-yl]hexanamide (PubChem CID 159216770) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 2-hydroxy-N-[1-[7-methyl-2-(2-methylphenyl)quinazolin-4-yl]piperidin-4-yl]hexanamide.

Molecular Properties

Compound Name2-hydroxy-N-[1-[7-methyl-2-(2-methylphenyl)quinazolin-4-yl]piperidin-4-yl]hexanamide
PubChem CID159216770
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Name2-hydroxy-N-[1-[7-methyl-2-(2-methylphenyl)quinazolin-4-yl]piperidin-4-yl]hexanamide
SMILESCCCCC(O)C(=O)NC1CCN(c2nc(-c3ccccc3C)nc3cc(C)ccc23)CC1
InChIInChI=1S/C27H34N4O2/c1-4-5-10-24(32)27(33)28-20-13-15-31(16-14-20)26-22-12-11-18(2)17-23(22)29-25(30-26)21-9-7-6-8-19(21)3/h6-9,11-12,17,20,24,32H,4-5,10,13-16H2,1-3H3,(H,28,33)
InChIKeyIFYMJWAXHPWNCR-UHFFFAOYSA-N
XLogP4.55
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-N-[1-[7-methyl-2-(2-methylphenyl)quinazolin-4-yl]piperidin-4-yl]hexanamide 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

2-hydroxy-N-[1-[2-(2-methylphenyl)quinazolin-4-yl]piperidin-4-yl]pentanamide
CID 158530174
2-hydroxy-N-[1-(7-methyl-2-phenylquinazolin-4-yl)piperidin-4-yl]pentanamide
CID 70835315
2-hydroxy-N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-4,4-dimethylpentanamide
CID 143198505
ethyl N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]carbamate
CID 135410876
2-[4-(4-aminopiperidin-1-yl)-7-methylquinazolin-2-yl]phenol;N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-methylbutanamide
CID 161090945
N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-3,3-dimethylbutanamide;molecular hydrogen
CID 160958505
butane;2-hydroxy-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]butan-1-one
CID 143245075
2-methoxyethyl N-[(3S)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]carbamate
CID 135771832
N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-2-carboxamide;molecular hydrogen
CID 158731625
N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-pyridin-2-ylpropanamide;molecular hydrogen
CID 159426749
butan-1-ol;N-[[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]formamide
CID 143198679
2-hydroxy-1-[4-[2-(2-methylphenyl)quinazolin-4-yl]piperazin-1-yl]pentan-1-one
CID 157193682

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[1-[7-methyl-2-(2-methylphenyl)quinazolin-4-yl]piperidin-4-yl]hexanamide?
The IUPAC name of 2-hydroxy-N-[1-[7-methyl-2-(2-methylphenyl)quinazolin-4-yl]piperidin-4-yl]hexanamide (CID 159216770) is 2-hydroxy-N-[1-[7-methyl-2-(2-methylphenyl)quinazolin-4-yl]piperidin-4-yl]hexanamide.
What is the SMILES notation for 2-hydroxy-N-[1-[7-methyl-2-(2-methylphenyl)quinazolin-4-yl]piperidin-4-yl]hexanamide?
The canonical SMILES for 2-hydroxy-N-[1-[7-methyl-2-(2-methylphenyl)quinazolin-4-yl]piperidin-4-yl]hexanamide is CCCCC(O)C(=O)NC1CCN(c2nc(-c3ccccc3C)nc3cc(C)ccc23)CC1.
What is the InChIKey of 2-hydroxy-N-[1-[7-methyl-2-(2-methylphenyl)quinazolin-4-yl]piperidin-4-yl]hexanamide?
The InChIKey is IFYMJWAXHPWNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-4-5-10-24(32)27(33)28-20-13-15-31(16-14-20)26-22-12-11-18(2)17-23(22)29-25(30-26)21-9-7-6-8-19(21)3/h6-9,11-12,17,20,24,32H,4-5,10,13-16H2,1-3H3,(H,28,33).
What are the key properties of 2-hydroxy-N-[1-[7-methyl-2-(2-methylphenyl)quinazolin-4-yl]piperidin-4-yl]hexanamide?
2-hydroxy-N-[1-[7-methyl-2-(2-methylphenyl)quinazolin-4-yl]piperidin-4-yl]hexanamide has a molecular weight of 446.60 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[1-[7-methyl-2-(2-methylphenyl)quinazolin-4-yl]piperidin-4-yl]hexanamide is sourced from PubChem (CID 159216770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).