1-[4-[2,7-dimethyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]piperidin-1-yl]ethanone

C26H32N4O — CID 155547315

IUPAC1-[4-[2,7-dimethyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cc3c(N[C@H](C)c4cccc(C)c4)nc(C)nc3cc2C)CC1
InChIInChI=1S/C26H32N4O/c1-16-7-6-8-22(13-16)18(3)27-26-24-15-23(17(2)14-25(24)28-19(4)29-26)21-9-11-30(12-10-21)20(5)31/h6-8,13-15,18,21H,9-12H2,1-5H3,(H,27,28,29)/t18-/m1/s1
InChIKeyJFUFKSVRTADXPN-GOSISDBHSA-N
MW416.57 g/mol
LogP5.45
Rot. Bonds4

About 1-[4-[2,7-dimethyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]piperidin-1-yl]ethanone

1-[4-[2,7-dimethyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]piperidin-1-yl]ethanone (PubChem CID 155547315) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is 1-[4-[2,7-dimethyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2,7-dimethyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]piperidin-1-yl]ethanone
PubChem CID155547315
Molecular FormulaC26H32N4O
Molecular Weight416.57 g/mol
Exact Mass416.26
IUPAC Name1-[4-[2,7-dimethyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cc3c(N[C@H](C)c4cccc(C)c4)nc(C)nc3cc2C)CC1
InChIInChI=1S/C26H32N4O/c1-16-7-6-8-22(13-16)18(3)27-26-24-15-23(17(2)14-25(24)28-19(4)29-26)21-9-11-30(12-10-21)20(5)31/h6-8,13-15,18,21H,9-12H2,1-5H3,(H,27,28,29)/t18-/m1/s1
InChIKeyJFUFKSVRTADXPN-GOSISDBHSA-N
XLogP5.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[2,7-dimethyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-{(E)-amino[(4,6-dimethylquinazolin-2-yl)amino]methylidene}-3-cyclohexylurea
CID 135543905
CID 2971918
CID 2971918
N-(3,4-dimethylphenyl)-6-methylquinazolin-4-amine
CID 720610
1,4,8-Trimethyl-12-quinolino[2,3-b]quinolinamine
CID 865238
1-(2-(Diethylamino)quinazolin-4-yl)-3-phenylurea
CID 10640536
N-[3-(4-Aminoquinazolin-6-Yl)-5-Fluorophenyl]-2-(Pyrrolidin-1-Yl)acetamide
CID 72705490
(s)-1-((1s,2s,4r)-2-Isopropyl-4-(isopropyl(methyl)amino)cyclohexyl)-3-(6-(trifluoromethyl)quinazolin-4-ylamino)pyrrolidin-2-one
CID 16064151
7-(4-Aminophenyl)-6-methylquinazoline-2,4-diamine
CID 56676459
6-Methyl-7-phenylquinazoline-2,4-diamine
CID 56679774
N-Propionyl-N'-(4,6,7-trimethyl-quinazolin-2-yl)-guanidine
CID 135516407
N-(1-phenylethyl)-2-(piperidin-1-yl)quinazolin-4-amine
CID 2956995
2-[[2-(3,4-Dimethylanilino)quinazolin-4-yl]amino]ethanol
CID 2226126

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2,7-dimethyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2,7-dimethyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]piperidin-1-yl]ethanone (CID 155547315) is 1-[4-[2,7-dimethyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2,7-dimethyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2,7-dimethyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2cc3c(N[C@H](C)c4cccc(C)c4)nc(C)nc3cc2C)CC1.
What is the InChIKey of 1-[4-[2,7-dimethyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]piperidin-1-yl]ethanone?
The InChIKey is JFUFKSVRTADXPN-GOSISDBHSA-N. The full InChI is InChI=1S/C26H32N4O/c1-16-7-6-8-22(13-16)18(3)27-26-24-15-23(17(2)14-25(24)28-19(4)29-26)21-9-11-30(12-10-21)20(5)31/h6-8,13-15,18,21H,9-12H2,1-5H3,(H,27,28,29)/t18-/m1/s1.
What are the key properties of 1-[4-[2,7-dimethyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]piperidin-1-yl]ethanone?
1-[4-[2,7-dimethyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]piperidin-1-yl]ethanone has a molecular weight of 416.57 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2,7-dimethyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 155547315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).