[4-(3-methylanilino)quinazolin-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone

C22H24N4O — CID 93059153

IUPAC[4-(3-methylanilino)quinazolin-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESCc1cccc(Nc2nc(C(=O)N3CCCC[C@H]3C)nc3ccccc23)c1
InChIInChI=1S/C22H24N4O/c1-15-8-7-10-17(14-15)23-20-18-11-3-4-12-19(18)24-21(25-20)22(27)26-13-6-5-9-16(26)2/h3-4,7-8,10-12,14,16H,5-6,9,13H2,1-2H3,(H,23,24,25)/t16-/m1/s1
InChIKeyKBMGCLHKRSUFSW-MRXNPFEDSA-N
MW360.46 g/mol
LogP4.70
Rot. Bonds3

About [4-(3-methylanilino)quinazolin-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone

[4-(3-methylanilino)quinazolin-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone (PubChem CID 93059153) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is [4-(3-methylanilino)quinazolin-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(3-methylanilino)quinazolin-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
PubChem CID93059153
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name[4-(3-methylanilino)quinazolin-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESCc1cccc(Nc2nc(C(=O)N3CCCC[C@H]3C)nc3ccccc23)c1
InChIInChI=1S/C22H24N4O/c1-15-8-7-10-17(14-15)23-20-18-11-3-4-12-19(18)24-21(25-20)22(27)26-13-6-5-9-16(26)2/h3-4,7-8,10-12,14,16H,5-6,9,13H2,1-2H3,(H,23,24,25)/t16-/m1/s1
InChIKeyKBMGCLHKRSUFSW-MRXNPFEDSA-N
XLogP4.70
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(3-methylanilino)quinazolin-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-4-(3-methylanilino)quinazoline-2-carboxamide
CID 20966077
N-[(2S)-butan-2-yl]-4-(3-methylanilino)quinazoline-2-carboxamide
CID 93059151
2-[2-(3-methylphenyl)benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 17000859
4-(3-methylanilino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)quinazoline-2-carboxamide
CID 53029202
[2-(4-bromophenyl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 4198467
[2-(3,4-dimethylphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1221554
2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690518
N-[[4-(dimethylamino)phenyl]methyl]-4-(3-methylanilino)quinazoline-2-carboxamide
CID 20966082
[(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone
CID 13185578
N-[3-(2-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 2937708
[4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 95092522
4-(3-methylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]quinazoline-2-carboxamide
CID 20966085

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylanilino)quinazolin-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The IUPAC name of [4-(3-methylanilino)quinazolin-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone (CID 93059153) is [4-(3-methylanilino)quinazolin-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [4-(3-methylanilino)quinazolin-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for [4-(3-methylanilino)quinazolin-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone is Cc1cccc(Nc2nc(C(=O)N3CCCC[C@H]3C)nc3ccccc23)c1.
What is the InChIKey of [4-(3-methylanilino)quinazolin-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The InChIKey is KBMGCLHKRSUFSW-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15-8-7-10-17(14-15)23-20-18-11-3-4-12-19(18)24-21(25-20)22(27)26-13-6-5-9-16(26)2/h3-4,7-8,10-12,14,16H,5-6,9,13H2,1-2H3,(H,23,24,25)/t16-/m1/s1.
What are the key properties of [4-(3-methylanilino)quinazolin-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
[4-(3-methylanilino)quinazolin-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone has a molecular weight of 360.46 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylanilino)quinazolin-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 93059153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).