N-[4-[(3S)-3-[(6-chloroquinazolin-2-yl)methyl]piperidine-1-carbonyl]phenyl]propanamide

C24H25ClN4O2 — CID 157396801

IUPACN-[4-[(3S)-3-[(6-chloroquinazolin-2-yl)methyl]piperidine-1-carbonyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Cc3ncc4cc(Cl)ccc4n3)C2)cc1
InChIInChI=1S/C24H25ClN4O2/c1-2-23(30)27-20-8-5-17(6-9-20)24(31)29-11-3-4-16(15-29)12-22-26-14-18-13-19(25)7-10-21(18)28-22/h5-10,13-14,16H,2-4,11-12,15H2,1H3,(H,27,30)/t16-/m0/s1
InChIKeyBMQYJCDNUNJLBB-INIZCTEOSA-N
MW436.94 g/mol
LogP4.73
Rot. Bonds5

About N-[4-[(3S)-3-[(6-chloroquinazolin-2-yl)methyl]piperidine-1-carbonyl]phenyl]propanamide

N-[4-[(3S)-3-[(6-chloroquinazolin-2-yl)methyl]piperidine-1-carbonyl]phenyl]propanamide (PubChem CID 157396801) has the molecular formula C24H25ClN4O2 and a molecular weight of 436.94 g/mol. Its IUPAC name is N-[4-[(3S)-3-[(6-chloroquinazolin-2-yl)methyl]piperidine-1-carbonyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[(3S)-3-[(6-chloroquinazolin-2-yl)methyl]piperidine-1-carbonyl]phenyl]propanamide
PubChem CID157396801
Molecular FormulaC24H25ClN4O2
Molecular Weight436.94 g/mol
Exact Mass436.17
IUPAC NameN-[4-[(3S)-3-[(6-chloroquinazolin-2-yl)methyl]piperidine-1-carbonyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Cc3ncc4cc(Cl)ccc4n3)C2)cc1
InChIInChI=1S/C24H25ClN4O2/c1-2-23(30)27-20-8-5-17(6-9-20)24(31)29-11-3-4-16(15-29)12-22-26-14-18-13-19(25)7-10-21(18)28-22/h5-10,13-14,16H,2-4,11-12,15H2,1H3,(H,27,30)/t16-/m0/s1
InChIKeyBMQYJCDNUNJLBB-INIZCTEOSA-N
XLogP4.73
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.94
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[(3S)-3-[(6-chloroquinazolin-2-yl)methyl]piperidine-1-carbonyl]phenyl]propanamide 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

N-[4-[(3S)-3-[(6-fluoroquinazolin-2-yl)methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide
CID 162185028
2-methylidene-N-[4-[(3S)-3-(quinazolin-2-ylmethyl)pyrrolidine-1-carbonyl]phenyl]butanamide
CID 159441023
N-[4-[(3S)-3-[(7-fluoroquinazolin-2-yl)methyl]piperidine-1-carbonyl]phenyl]prop-2-enamide
CID 158352052
2-(4-chlorophenyl)-N-[4-(3-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 45128141
N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]propanamide
CID 110900071
(E)-N-[4-[(3S)-3-[(5-chloropyrimidin-2-yl)methyl]pyrrolidine-1-carbonyl]phenyl]-4-(dimethylamino)but-2-enamide
CID 159250541
[5-chloro-6-(4-chloroanilino)-3-pyridinyl]-(3-ethylpiperidin-1-yl)methanone
CID 23725539
N,N-dimethyl-2-[[1-[4-(propanoylamino)benzoyl]pyrrolidin-3-yl]amino]quinazoline-7-carboxamide
CID 147921458
N-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048985
(3S)-1-[4-(propanoylamino)benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 92728966
1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 46384498
(3R)-1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 92729051

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-3-[(6-chloroquinazolin-2-yl)methyl]piperidine-1-carbonyl]phenyl]propanamide?
The IUPAC name of N-[4-[(3S)-3-[(6-chloroquinazolin-2-yl)methyl]piperidine-1-carbonyl]phenyl]propanamide (CID 157396801) is N-[4-[(3S)-3-[(6-chloroquinazolin-2-yl)methyl]piperidine-1-carbonyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[(3S)-3-[(6-chloroquinazolin-2-yl)methyl]piperidine-1-carbonyl]phenyl]propanamide?
The canonical SMILES for N-[4-[(3S)-3-[(6-chloroquinazolin-2-yl)methyl]piperidine-1-carbonyl]phenyl]propanamide is CCC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Cc3ncc4cc(Cl)ccc4n3)C2)cc1.
What is the InChIKey of N-[4-[(3S)-3-[(6-chloroquinazolin-2-yl)methyl]piperidine-1-carbonyl]phenyl]propanamide?
The InChIKey is BMQYJCDNUNJLBB-INIZCTEOSA-N. The full InChI is InChI=1S/C24H25ClN4O2/c1-2-23(30)27-20-8-5-17(6-9-20)24(31)29-11-3-4-16(15-29)12-22-26-14-18-13-19(25)7-10-21(18)28-22/h5-10,13-14,16H,2-4,11-12,15H2,1H3,(H,27,30)/t16-/m0/s1.
What are the key properties of N-[4-[(3S)-3-[(6-chloroquinazolin-2-yl)methyl]piperidine-1-carbonyl]phenyl]propanamide?
N-[4-[(3S)-3-[(6-chloroquinazolin-2-yl)methyl]piperidine-1-carbonyl]phenyl]propanamide has a molecular weight of 436.94 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-3-[(6-chloroquinazolin-2-yl)methyl]piperidine-1-carbonyl]phenyl]propanamide is sourced from PubChem (CID 157396801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).