N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-pyridin-4-ylquinazolin-4-amine

C22H27N5 — CID 31581585

IUPACN-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-pyridin-4-ylquinazolin-4-amine
SMILESC[C@@H]1CCCCN1CCCNc1nc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C22H27N5/c1-17-7-4-5-15-27(17)16-6-12-24-22-19-8-2-3-9-20(19)25-21(26-22)18-10-13-23-14-11-18/h2-3,8-11,13-14,17H,4-7,12,15-16H2,1H3,(H,24,25,26)/t17-/m1/s1
InChIKeyZOPIEBLDHXABNY-QGZVFWFLSA-N
MW361.49 g/mol
LogP4.37
Rot. Bonds6

About N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-pyridin-4-ylquinazolin-4-amine

N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-pyridin-4-ylquinazolin-4-amine (PubChem CID 31581585) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-pyridin-4-ylquinazolin-4-amine
PubChem CID31581585
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC NameN-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-pyridin-4-ylquinazolin-4-amine
SMILESC[C@@H]1CCCCN1CCCNc1nc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C22H27N5/c1-17-7-4-5-15-27(17)16-6-12-24-22-19-8-2-3-9-20(19)25-21(26-22)18-10-13-23-14-11-18/h2-3,8-11,13-14,17H,4-7,12,15-16H2,1H3,(H,24,25,26)/t17-/m1/s1
InChIKeyZOPIEBLDHXABNY-QGZVFWFLSA-N
XLogP4.37
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-pyridin-4-ylquinazolin-4-amine 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-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 92667476
N-[3-(2-methylpiperidin-1-yl)propyl]-1H-indazol-3-amine
CID 3068040
N-(4-phenylbutyl)-2-pyridin-4-ylquinazolin-4-amine
CID 142682219
2-phenyl-N-(2-piperidin-1-ylethyl)quinazolin-4-amine
CID 66901625
5-[(2-pyridin-4-ylquinazolin-4-yl)amino]pentanenitrile
CID 133299899
2-(4-chlorophenyl)-N-[3-(4-propylpiperazin-1-yl)propyl]quinazolin-4-amine
CID 20963288
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]tetrazolo[5,1-a]phthalazin-6-amine
CID 92734456
N-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine
CID 62483663
2-[2-(2-methylpiperidin-1-yl)ethylamino]quinoline-4-carboxylic acid
CID 50806128
1-[[2-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]methyl]piperidin-4-ol
CID 133326352
2-phenyl-N-propylquinazolin-4-amine
CID 10244508
N-(2,2-diphenylethyl)-2-pyridin-4-ylquinazolin-4-amine
CID 121377208

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-pyridin-4-ylquinazolin-4-amine (CID 31581585) is N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-pyridin-4-ylquinazolin-4-amine is C[C@@H]1CCCCN1CCCNc1nc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-pyridin-4-ylquinazolin-4-amine?
The InChIKey is ZOPIEBLDHXABNY-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H27N5/c1-17-7-4-5-15-27(17)16-6-12-24-22-19-8-2-3-9-20(19)25-21(26-22)18-10-13-23-14-11-18/h2-3,8-11,13-14,17H,4-7,12,15-16H2,1H3,(H,24,25,26)/t17-/m1/s1.
What are the key properties of N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-pyridin-4-ylquinazolin-4-amine?
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-pyridin-4-ylquinazolin-4-amine has a molecular weight of 361.49 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 31581585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).