N-(1-benzylpiperidin-4-yl)-6-methylquinazolin-4-amine

C21H24N4 — CID 162366578

IUPACN-(1-benzylpiperidin-4-yl)-6-methylquinazolin-4-amine
SMILESCc1ccc2ncnc(NC3CCN(Cc4ccccc4)CC3)c2c1
InChIInChI=1S/C21H24N4/c1-16-7-8-20-19(13-16)21(23-15-22-20)24-18-9-11-25(12-10-18)14-17-5-3-2-4-6-17/h2-8,13,15,18H,9-12,14H2,1H3,(H,22,23,24)
InChIKeyLBHMQSNZJKKYHT-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.01
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-6-methylquinazolin-4-amine

N-(1-benzylpiperidin-4-yl)-6-methylquinazolin-4-amine (PubChem CID 162366578) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-6-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-6-methylquinazolin-4-amine
PubChem CID162366578
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC NameN-(1-benzylpiperidin-4-yl)-6-methylquinazolin-4-amine
SMILESCc1ccc2ncnc(NC3CCN(Cc4ccccc4)CC3)c2c1
InChIInChI=1S/C21H24N4/c1-16-7-8-20-19(13-16)21(23-15-22-20)24-18-9-11-25(12-10-18)14-17-5-3-2-4-6-17/h2-8,13,15,18H,9-12,14H2,1H3,(H,22,23,24)
InChIKeyLBHMQSNZJKKYHT-UHFFFAOYSA-N
XLogP4.01
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylsulfonylpiperidin-4-yl)-6-methylquinazolin-4-amine
CID 133306585
N-(1-benzylpiperidin-4-yl)-6,7-dimethoxyquinazolin-4-amine
CID 2808856
N-(1-benzylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;ethane
CID 91532309
1-methoxy-3-[4-[(6-methylquinazolin-4-yl)amino]piperidin-1-yl]propan-2-ol
CID 133406522
N-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine;ethane
CID 90925941
N-cyclopropyl-6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine
CID 68944579
3-methoxy-1-[4-[(6-methylquinazolin-4-yl)amino]piperidin-1-yl]propan-1-one
CID 133377450
4-[[4-[[6-[bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino]piperidin-1-yl]methyl]benzoic acid
CID 118916169
N-[4-(3-fluoroazetidin-1-yl)cyclohexyl]-6-methylquinazolin-4-amine
CID 121255023
6-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)quinazolin-4-amine
CID 136524272
3-[[3-[[6-[bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino]pyrrolidin-1-yl]methyl]benzoic acid
CID 118916047
N-cyclopropyl-6-(2,5-dimethylphenyl)quinazolin-4-amine
CID 91256462

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-6-methylquinazolin-4-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-6-methylquinazolin-4-amine (CID 162366578) is N-(1-benzylpiperidin-4-yl)-6-methylquinazolin-4-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-6-methylquinazolin-4-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-6-methylquinazolin-4-amine is Cc1ccc2ncnc(NC3CCN(Cc4ccccc4)CC3)c2c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-6-methylquinazolin-4-amine?
The InChIKey is LBHMQSNZJKKYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-16-7-8-20-19(13-16)21(23-15-22-20)24-18-9-11-25(12-10-18)14-17-5-3-2-4-6-17/h2-8,13,15,18H,9-12,14H2,1H3,(H,22,23,24).
What are the key properties of N-(1-benzylpiperidin-4-yl)-6-methylquinazolin-4-amine?
N-(1-benzylpiperidin-4-yl)-6-methylquinazolin-4-amine has a molecular weight of 332.45 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-6-methylquinazolin-4-amine is sourced from PubChem (CID 162366578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).