6-methyl-2-(2-methylpiperidin-1-yl)-4-phenylquinazoline

C21H23N3 — CID 16616241

IUPAC6-methyl-2-(2-methylpiperidin-1-yl)-4-phenylquinazoline
SMILESCc1ccc2nc(N3CCCCC3C)nc(-c3ccccc3)c2c1
InChIInChI=1S/C21H23N3/c1-15-11-12-19-18(14-15)20(17-9-4-3-5-10-17)23-21(22-19)24-13-7-6-8-16(24)2/h3-5,9-12,14,16H,6-8,13H2,1-2H3
InChIKeyFRGPHBMREVZMLM-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.98
Rot. Bonds2

About 6-methyl-2-(2-methylpiperidin-1-yl)-4-phenylquinazoline

6-methyl-2-(2-methylpiperidin-1-yl)-4-phenylquinazoline (PubChem CID 16616241) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is 6-methyl-2-(2-methylpiperidin-1-yl)-4-phenylquinazoline.

Molecular Properties

Compound Name6-methyl-2-(2-methylpiperidin-1-yl)-4-phenylquinazoline
PubChem CID16616241
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name6-methyl-2-(2-methylpiperidin-1-yl)-4-phenylquinazoline
SMILESCc1ccc2nc(N3CCCCC3C)nc(-c3ccccc3)c2c1
InChIInChI=1S/C21H23N3/c1-15-11-12-19-18(14-15)20(17-9-4-3-5-10-17)23-21(22-19)24-13-7-6-8-16(24)2/h3-5,9-12,14,16H,6-8,13H2,1-2H3
InChIKeyFRGPHBMREVZMLM-UHFFFAOYSA-N
XLogP4.98
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-2-carboxylate
CID 4552361
2-(4-butylpiperazin-1-yl)-6-methyl-4-phenylquinazoline
CID 2862104
N-(4-bromophenyl)-1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-4-carboxamide
CID 4729103
(1S,6R)-6-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 1069557
4-(2-methylpiperidin-1-yl)-2-pyridin-2-ylquinoline;hydrobromide
CID 131872360
6-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylate
CID 4751818
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-phenylquinazoline
CID 47069164
8-methyl-4-phenyl-2,3-dihydro-1H-cyclopenta[c]quinoline
CID 135030288
2-methyl-4-(2-methylpiperidin-1-yl)-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine
CID 10807285
[2-(2-methylpiperidin-1-yl)quinolin-4-yl]methanol
CID 61253176
6-methyl-N,4-diphenylquinazolin-2-amine
CID 782168
2-chloro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline
CID 42149937

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methylpiperidin-1-yl)-4-phenylquinazoline?
The IUPAC name of 6-methyl-2-(2-methylpiperidin-1-yl)-4-phenylquinazoline (CID 16616241) is 6-methyl-2-(2-methylpiperidin-1-yl)-4-phenylquinazoline.
What is the SMILES notation for 6-methyl-2-(2-methylpiperidin-1-yl)-4-phenylquinazoline?
The canonical SMILES for 6-methyl-2-(2-methylpiperidin-1-yl)-4-phenylquinazoline is Cc1ccc2nc(N3CCCCC3C)nc(-c3ccccc3)c2c1.
What is the InChIKey of 6-methyl-2-(2-methylpiperidin-1-yl)-4-phenylquinazoline?
The InChIKey is FRGPHBMREVZMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-15-11-12-19-18(14-15)20(17-9-4-3-5-10-17)23-21(22-19)24-13-7-6-8-16(24)2/h3-5,9-12,14,16H,6-8,13H2,1-2H3.
What are the key properties of 6-methyl-2-(2-methylpiperidin-1-yl)-4-phenylquinazoline?
6-methyl-2-(2-methylpiperidin-1-yl)-4-phenylquinazoline has a molecular weight of 317.44 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methylpiperidin-1-yl)-4-phenylquinazoline is sourced from PubChem (CID 16616241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).