(4-methyl-2-phenylquinazolin-7-yl)-piperidin-1-ylmethanone

C21H21N3O — CID 146476155

IUPAC(4-methyl-2-phenylquinazolin-7-yl)-piperidin-1-ylmethanone
SMILESCc1nc(-c2ccccc2)nc2cc(C(=O)N3CCCCC3)ccc12
InChIInChI=1S/C21H21N3O/c1-15-18-11-10-17(21(25)24-12-6-3-7-13-24)14-19(18)23-20(22-15)16-8-4-2-5-9-16/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3
InChIKeyIOGFFBQOVSTPQG-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.23
Rot. Bonds2

About (4-methyl-2-phenylquinazolin-7-yl)-piperidin-1-ylmethanone

(4-methyl-2-phenylquinazolin-7-yl)-piperidin-1-ylmethanone (PubChem CID 146476155) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is (4-methyl-2-phenylquinazolin-7-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-methyl-2-phenylquinazolin-7-yl)-piperidin-1-ylmethanone
PubChem CID146476155
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name(4-methyl-2-phenylquinazolin-7-yl)-piperidin-1-ylmethanone
SMILESCc1nc(-c2ccccc2)nc2cc(C(=O)N3CCCCC3)ccc12
InChIInChI=1S/C21H21N3O/c1-15-18-11-10-17(21(25)24-12-6-3-7-13-24)14-19(18)23-20(22-15)16-8-4-2-5-9-16/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3
InChIKeyIOGFFBQOVSTPQG-UHFFFAOYSA-N
XLogP4.23
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-cyclohexa-1,5-dien-1-yl-4-methylquinazolin-7-yl)-piperidin-1-ylmethanone
CID 178088559
azepan-1-yl-(2-phenylquinazolin-4-yl)methanone
CID 13336375
azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187
(3-methylquinoxalin-6-yl)-piperidin-1-ylmethanone
CID 170073145
azepan-1-yl-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 40723608
(2-phenyl-3-pyridin-4-ylquinoxalin-6-yl)-piperidin-1-ylmethanone
CID 135300433
(3-chloro-2-phenylquinoxalin-6-yl)-piperidin-1-ylmethanone
CID 135290855
(2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone
CID 2229074
(5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone
CID 35177384
[3-(2-methylpyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone
CID 159555657
3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 2099778
[4-(azepan-1-yl)piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 110667059

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-phenylquinazolin-7-yl)-piperidin-1-ylmethanone?
The IUPAC name of (4-methyl-2-phenylquinazolin-7-yl)-piperidin-1-ylmethanone (CID 146476155) is (4-methyl-2-phenylquinazolin-7-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-methyl-2-phenylquinazolin-7-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-methyl-2-phenylquinazolin-7-yl)-piperidin-1-ylmethanone is Cc1nc(-c2ccccc2)nc2cc(C(=O)N3CCCCC3)ccc12.
What is the InChIKey of (4-methyl-2-phenylquinazolin-7-yl)-piperidin-1-ylmethanone?
The InChIKey is IOGFFBQOVSTPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-15-18-11-10-17(21(25)24-12-6-3-7-13-24)14-19(18)23-20(22-15)16-8-4-2-5-9-16/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3.
What are the key properties of (4-methyl-2-phenylquinazolin-7-yl)-piperidin-1-ylmethanone?
(4-methyl-2-phenylquinazolin-7-yl)-piperidin-1-ylmethanone has a molecular weight of 331.42 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-phenylquinazolin-7-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 146476155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).