N-methyl-4-phenyl-N-piperidin-3-ylquinazolin-2-amine

C20H22N4 — CID 166324131

IUPACN-methyl-4-phenyl-N-piperidin-3-ylquinazolin-2-amine
SMILESCN(c1nc(-c2ccccc2)c2ccccc2n1)C1CCCNC1
InChIInChI=1S/C20H22N4/c1-24(16-10-7-13-21-14-16)20-22-18-12-6-5-11-17(18)19(23-20)15-8-3-2-4-9-15/h2-6,8-9,11-12,16,21H,7,10,13-14H2,1H3
InChIKeyPXDLZKIXJXDINT-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.48
Rot. Bonds3

About N-methyl-4-phenyl-N-piperidin-3-ylquinazolin-2-amine

N-methyl-4-phenyl-N-piperidin-3-ylquinazolin-2-amine (PubChem CID 166324131) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-methyl-4-phenyl-N-piperidin-3-ylquinazolin-2-amine.

Molecular Properties

Compound NameN-methyl-4-phenyl-N-piperidin-3-ylquinazolin-2-amine
PubChem CID166324131
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC NameN-methyl-4-phenyl-N-piperidin-3-ylquinazolin-2-amine
SMILESCN(c1nc(-c2ccccc2)c2ccccc2n1)C1CCCNC1
InChIInChI=1S/C20H22N4/c1-24(16-10-7-13-21-14-16)20-22-18-12-6-5-11-17(18)19(23-20)15-8-3-2-4-9-15/h2-6,8-9,11-12,16,21H,7,10,13-14H2,1H3
InChIKeyPXDLZKIXJXDINT-UHFFFAOYSA-N
XLogP3.48
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-piperidin-3-ylquinolin-2-amine
CID 63642355
N-methyl-6-phenyl-N-piperidin-3-ylpyridazin-3-amine
CID 116973502
N-methyl-N-piperidin-3-ylquinazolin-4-amine
CID 55249323
N-methyl-N-[(3R)-piperidin-3-yl]-1,3-benzothiazol-2-amine;hydrochloride
CID 71640920
3-methoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine
CID 71643025
2-N,3-N-dimethyl-3-N-[(3S)-piperidin-3-yl]quinoxaline-2,3-diamine
CID 71642503
3-methoxy-N-methyl-N-[(3R)-piperidin-3-yl]quinoxalin-2-amine;hydrochloride
CID 71643020
4-[methyl(piperidin-3-yl)amino]cinnoline-3-carbonitrile
CID 64900506
2-N,2-N,4-N-trimethyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine
CID 64830287
3-ethoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine
CID 71639633
N-methyl-N-(quinolin-4-ylmethyl)piperidin-3-amine
CID 63868534
N-methyl-N-piperidin-3-ylpyridin-3-amine
CID 83698004

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-phenyl-N-piperidin-3-ylquinazolin-2-amine?
The IUPAC name of N-methyl-4-phenyl-N-piperidin-3-ylquinazolin-2-amine (CID 166324131) is N-methyl-4-phenyl-N-piperidin-3-ylquinazolin-2-amine.
What is the SMILES notation for N-methyl-4-phenyl-N-piperidin-3-ylquinazolin-2-amine?
The canonical SMILES for N-methyl-4-phenyl-N-piperidin-3-ylquinazolin-2-amine is CN(c1nc(-c2ccccc2)c2ccccc2n1)C1CCCNC1.
What is the InChIKey of N-methyl-4-phenyl-N-piperidin-3-ylquinazolin-2-amine?
The InChIKey is PXDLZKIXJXDINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-24(16-10-7-13-21-14-16)20-22-18-12-6-5-11-17(18)19(23-20)15-8-3-2-4-9-15/h2-6,8-9,11-12,16,21H,7,10,13-14H2,1H3.
What are the key properties of N-methyl-4-phenyl-N-piperidin-3-ylquinazolin-2-amine?
N-methyl-4-phenyl-N-piperidin-3-ylquinazolin-2-amine has a molecular weight of 318.42 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenyl-N-piperidin-3-ylquinazolin-2-amine is sourced from PubChem (CID 166324131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).