(2-cyclohexa-1,5-dien-1-yl-4-methylquinazolin-7-yl)-piperidin-1-ylmethanone

C21H23N3O — CID 178088559

IUPAC(2-cyclohexa-1,5-dien-1-yl-4-methylquinazolin-7-yl)-piperidin-1-ylmethanone
SMILESCc1nc(C2=CCCC=C2)nc2cc(C(=O)N3CCCCC3)ccc12
InChIInChI=1S/C21H23N3O/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/h4,8-11,14H,2-3,5-7,12-13H2,1H3
InChIKeyOQVCXCDIGLPGAG-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.30
Rot. Bonds2

About (2-cyclohexa-1,5-dien-1-yl-4-methylquinazolin-7-yl)-piperidin-1-ylmethanone

(2-cyclohexa-1,5-dien-1-yl-4-methylquinazolin-7-yl)-piperidin-1-ylmethanone (PubChem CID 178088559) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is (2-cyclohexa-1,5-dien-1-yl-4-methylquinazolin-7-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2-cyclohexa-1,5-dien-1-yl-4-methylquinazolin-7-yl)-piperidin-1-ylmethanone
PubChem CID178088559
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name(2-cyclohexa-1,5-dien-1-yl-4-methylquinazolin-7-yl)-piperidin-1-ylmethanone
SMILESCc1nc(C2=CCCC=C2)nc2cc(C(=O)N3CCCCC3)ccc12
InChIInChI=1S/C21H23N3O/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/h4,8-11,14H,2-3,5-7,12-13H2,1H3
InChIKeyOQVCXCDIGLPGAG-UHFFFAOYSA-N
XLogP4.30
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methyl-2-phenylquinazolin-7-yl)-piperidin-1-ylmethanone
CID 146476155
azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187
(4-cyclohexa-1,5-dien-1-ylphenyl)-pyrrolidin-1-ylmethanone
CID 143702960
[4-(azepan-1-yl)piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 110667059
(3-methylquinoxalin-6-yl)-piperidin-1-ylmethanone
CID 170073145
3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 2099778
(2-methyl-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone
CID 3581764
(3S)-1-(2,3-dimethylquinoxaline-6-carbonyl)piperidine-3-carboxamide
CID 94457790
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
2-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 51255754
azepan-1-yl-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 40723608
(2-ethylindazol-6-yl)-piperidin-1-ylmethanone
CID 53017469

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexa-1,5-dien-1-yl-4-methylquinazolin-7-yl)-piperidin-1-ylmethanone?
The IUPAC name of (2-cyclohexa-1,5-dien-1-yl-4-methylquinazolin-7-yl)-piperidin-1-ylmethanone (CID 178088559) is (2-cyclohexa-1,5-dien-1-yl-4-methylquinazolin-7-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2-cyclohexa-1,5-dien-1-yl-4-methylquinazolin-7-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (2-cyclohexa-1,5-dien-1-yl-4-methylquinazolin-7-yl)-piperidin-1-ylmethanone is Cc1nc(C2=CCCC=C2)nc2cc(C(=O)N3CCCCC3)ccc12.
What is the InChIKey of (2-cyclohexa-1,5-dien-1-yl-4-methylquinazolin-7-yl)-piperidin-1-ylmethanone?
The InChIKey is OQVCXCDIGLPGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/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/h4,8-11,14H,2-3,5-7,12-13H2,1H3.
What are the key properties of (2-cyclohexa-1,5-dien-1-yl-4-methylquinazolin-7-yl)-piperidin-1-ylmethanone?
(2-cyclohexa-1,5-dien-1-yl-4-methylquinazolin-7-yl)-piperidin-1-ylmethanone has a molecular weight of 333.44 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexa-1,5-dien-1-yl-4-methylquinazolin-7-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 178088559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).