[4-(2-methylquinazolin-7-yl)phenyl]-piperidin-1-ylmethanone

C21H21N3O — CID 171697921

IUPAC[4-(2-methylquinazolin-7-yl)phenyl]-piperidin-1-ylmethanone
SMILESCc1ncc2ccc(-c3ccc(C(=O)N4CCCCC4)cc3)cc2n1
InChIInChI=1S/C21H21N3O/c1-15-22-14-19-10-9-18(13-20(19)23-15)16-5-7-17(8-6-16)21(25)24-11-3-2-4-12-24/h5-10,13-14H,2-4,11-12H2,1H3
InChIKeyXGFVXBFDUUVFCA-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.23
Rot. Bonds2

About [4-(2-methylquinazolin-7-yl)phenyl]-piperidin-1-ylmethanone

[4-(2-methylquinazolin-7-yl)phenyl]-piperidin-1-ylmethanone (PubChem CID 171697921) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is [4-(2-methylquinazolin-7-yl)phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(2-methylquinazolin-7-yl)phenyl]-piperidin-1-ylmethanone
PubChem CID171697921
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name[4-(2-methylquinazolin-7-yl)phenyl]-piperidin-1-ylmethanone
SMILESCc1ncc2ccc(-c3ccc(C(=O)N4CCCCC4)cc3)cc2n1
InChIInChI=1S/C21H21N3O/c1-15-22-14-19-10-9-18(13-20(19)23-15)16-5-7-17(8-6-16)21(25)24-11-3-2-4-12-24/h5-10,13-14H,2-4,11-12H2,1H3
InChIKeyXGFVXBFDUUVFCA-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

[3-(2-methylpyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone
CID 159555657
(2-methylpyrimidin-5-yl)-pyrrolidin-1-ylmethanone
CID 89084134
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
(3-methylquinoxalin-6-yl)-piperidin-1-ylmethanone
CID 170073145
[(3R)-1-[4-(2-methyl-4-pyridinyl)benzoyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 126429371
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488
azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-piperidin-1-ylmethanone
CID 53004915
2-chloro-5-[4-(piperidine-1-carbonyl)phenyl]benzoic acid
CID 53228855
azocan-1-yl-[4-(4-hydroxy-3-methoxyphenyl)phenyl]methanone
CID 118777173
(4-methylphenyl)-pyrrolidin-1-ylmethanone;propane
CID 143994279

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylquinazolin-7-yl)phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(2-methylquinazolin-7-yl)phenyl]-piperidin-1-ylmethanone (CID 171697921) is [4-(2-methylquinazolin-7-yl)phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(2-methylquinazolin-7-yl)phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(2-methylquinazolin-7-yl)phenyl]-piperidin-1-ylmethanone is Cc1ncc2ccc(-c3ccc(C(=O)N4CCCCC4)cc3)cc2n1.
What is the InChIKey of [4-(2-methylquinazolin-7-yl)phenyl]-piperidin-1-ylmethanone?
The InChIKey is XGFVXBFDUUVFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-15-22-14-19-10-9-18(13-20(19)23-15)16-5-7-17(8-6-16)21(25)24-11-3-2-4-12-24/h5-10,13-14H,2-4,11-12H2,1H3.
What are the key properties of [4-(2-methylquinazolin-7-yl)phenyl]-piperidin-1-ylmethanone?
[4-(2-methylquinazolin-7-yl)phenyl]-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-(2-methylquinazolin-7-yl)phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 171697921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).