N-[1-[2-(3-amino-5-cyanoanilino)-8-methylquinazolin-4-yl]piperidin-3-yl]acetamide;hydrochloride

C23H26ClN7O — CID 118977092

IUPACN-[1-[2-(3-amino-5-cyanoanilino)-8-methylquinazolin-4-yl]piperidin-3-yl]acetamide;hydrochloride
SMILESCC(=O)NC1CCCN(c2nc(Nc3cc(N)cc(C#N)c3)nc3c(C)cccc23)C1.Cl
InChIInChI=1S/C23H25N7O.ClH/c1-14-5-3-7-20-21(14)28-23(27-19-10-16(12-24)9-17(25)11-19)29-22(20)30-8-4-6-18(13-30)26-15(2)31;/h3,5,7,9-11,18H,4,6,8,13,25H2,1-2H3,(H,26,31)(H,27,28,29);1H
InChIKeyCCDDOISQRSCYCR-UHFFFAOYSA-N
MW451.96 g/mol
LogP3.66
Rot. Bonds4

About N-[1-[2-(3-amino-5-cyanoanilino)-8-methylquinazolin-4-yl]piperidin-3-yl]acetamide;hydrochloride

N-[1-[2-(3-amino-5-cyanoanilino)-8-methylquinazolin-4-yl]piperidin-3-yl]acetamide;hydrochloride (PubChem CID 118977092) has the molecular formula C23H26ClN7O and a molecular weight of 451.96 g/mol. Its IUPAC name is N-[1-[2-(3-amino-5-cyanoanilino)-8-methylquinazolin-4-yl]piperidin-3-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[2-(3-amino-5-cyanoanilino)-8-methylquinazolin-4-yl]piperidin-3-yl]acetamide;hydrochloride
PubChem CID118977092
Molecular FormulaC23H26ClN7O
Molecular Weight451.96 g/mol
Exact Mass451.19
IUPAC NameN-[1-[2-(3-amino-5-cyanoanilino)-8-methylquinazolin-4-yl]piperidin-3-yl]acetamide;hydrochloride
SMILESCC(=O)NC1CCCN(c2nc(Nc3cc(N)cc(C#N)c3)nc3c(C)cccc23)C1.Cl
InChIInChI=1S/C23H25N7O.ClH/c1-14-5-3-7-20-21(14)28-23(27-19-10-16(12-24)9-17(25)11-19)29-22(20)30-8-4-6-18(13-30)26-15(2)31;/h3,5,7,9-11,18H,4,6,8,13,25H2,1-2H3,(H,26,31)(H,27,28,29);1H
InChIKeyCCDDOISQRSCYCR-UHFFFAOYSA-N
XLogP3.66
TPSA119.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.96
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[1-[2-(3-amino-5-cyanoanilino)-8-methylquinazolin-4-yl]piperidin-3-yl]acetamide;hydrochloride 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-[1-[2-(3-amino-5-cyanoanilino)pyrido[3,2-d]pyrimidin-4-yl]piperidin-3-yl]acetamide;hydrochloride
CID 118976843
N-[(3R)-1-[2-(3-amino-5-cyanoanilino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperidin-3-yl]acetamide;hydrochloride
CID 118977253
N-[1-[2-(3-amino-5-cyanoanilino)-5,6,7,8-tetrahydroquinazolin-4-yl]piperidin-3-yl]acetamide
CID 118977179
N-[1-[2-(3-amino-5-cyanoanilino)-7-chloroquinazolin-4-yl]pyrrolidin-3-yl]acetamide;hydrochloride
CID 118976857
N-[(3S)-1-[2-(3-amino-5-cyanoanilino)quinazolin-4-yl]pyrrolidin-3-yl]pentanamide
CID 118977058
3-amino-5-[[4-[3-(propylamino)pyrrolidin-1-yl]quinazolin-2-yl]amino]benzonitrile
CID 118977191
[(3S)-1-[2-(3-amino-5-cyanoanilino)quinazolin-4-yl]pyrrolidin-3-yl] N-tert-butylcarbamate;hydrochloride
CID 86566786
3-N-(8-methyl-4-piperidin-1-ylquinazolin-2-yl)-5-(trifluoromethyl)benzene-1,3-diamine
CID 141430934
N-[1-(3-cyano-4-methylquinolin-2-yl)piperidin-3-yl]acetamide
CID 146038812
N-[(3R)-1-[2-(3-cyano-4-fluoroanilino)-5,6,7,8-tetrahydroquinazolin-4-yl]piperidin-3-yl]acetamide
CID 118977226
3-amino-5-[[4-[(3S)-3-(propylamino)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-2-yl]amino]benzonitrile
CID 118977260
N-[(3R)-1-[2-[4-amino-3-(trifluoromethyl)anilino]-5,6,7,8-tetrahydroquinazolin-4-yl]piperidin-3-yl]acetamide;hydrochloride
CID 118977339

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-amino-5-cyanoanilino)-8-methylquinazolin-4-yl]piperidin-3-yl]acetamide;hydrochloride?
The IUPAC name of N-[1-[2-(3-amino-5-cyanoanilino)-8-methylquinazolin-4-yl]piperidin-3-yl]acetamide;hydrochloride (CID 118977092) is N-[1-[2-(3-amino-5-cyanoanilino)-8-methylquinazolin-4-yl]piperidin-3-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[1-[2-(3-amino-5-cyanoanilino)-8-methylquinazolin-4-yl]piperidin-3-yl]acetamide;hydrochloride?
The canonical SMILES for N-[1-[2-(3-amino-5-cyanoanilino)-8-methylquinazolin-4-yl]piperidin-3-yl]acetamide;hydrochloride is CC(=O)NC1CCCN(c2nc(Nc3cc(N)cc(C#N)c3)nc3c(C)cccc23)C1.Cl.
What is the InChIKey of N-[1-[2-(3-amino-5-cyanoanilino)-8-methylquinazolin-4-yl]piperidin-3-yl]acetamide;hydrochloride?
The InChIKey is CCDDOISQRSCYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O.ClH/c1-14-5-3-7-20-21(14)28-23(27-19-10-16(12-24)9-17(25)11-19)29-22(20)30-8-4-6-18(13-30)26-15(2)31;/h3,5,7,9-11,18H,4,6,8,13,25H2,1-2H3,(H,26,31)(H,27,28,29);1H.
What are the key properties of N-[1-[2-(3-amino-5-cyanoanilino)-8-methylquinazolin-4-yl]piperidin-3-yl]acetamide;hydrochloride?
N-[1-[2-(3-amino-5-cyanoanilino)-8-methylquinazolin-4-yl]piperidin-3-yl]acetamide;hydrochloride has a molecular weight of 451.96 g/mol, XLogP of 3.66, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-amino-5-cyanoanilino)-8-methylquinazolin-4-yl]piperidin-3-yl]acetamide;hydrochloride is sourced from PubChem (CID 118977092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).