1-(2-amino-4-methylquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one

C20H22N4O — CID 25061752

IUPAC1-(2-amino-4-methylquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one
SMILESCc1cn(-c2ccc3c(C)nc(N)nc3c2)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C20H22N4O/c1-11-10-24(16-8-20(3,4)9-17(25)18(11)16)13-5-6-14-12(2)22-19(21)23-15(14)7-13/h5-7,10H,8-9H2,1-4H3,(H2,21,22,23)
InChIKeyCMSOUOVTKNTIQH-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.77
Rot. Bonds1

About 1-(2-amino-4-methylquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one

1-(2-amino-4-methylquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one (PubChem CID 25061752) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-(2-amino-4-methylquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name1-(2-amino-4-methylquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one
PubChem CID25061752
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-(2-amino-4-methylquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one
SMILESCc1cn(-c2ccc3c(C)nc(N)nc3c2)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C20H22N4O/c1-11-10-24(16-8-20(3,4)9-17(25)18(11)16)13-5-6-14-12(2)22-19(21)23-15(14)7-13/h5-7,10H,8-9H2,1-4H3,(H2,21,22,23)
InChIKeyCMSOUOVTKNTIQH-UHFFFAOYSA-N
XLogP3.77
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-amino-4-methylquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one with MolForge

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Related Compounds

Cilansetron
CID 6918107
10-[2-(Dimethylamino)ethylamino]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one
CID 438569
3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one
CID 24812717
2-(4-Ethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 1416467
10-[2-(Diethylamino)ethylamino]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one
CID 371512
(E)-N-(3-((6-(1H-Indol-3-yl)pyrimidin-4-yl)amino)phenyl)-4-(4-(dimethylamino)but-2-enamido)benzamide
CID 134451950
5-HT3 antagonist 3
CID 65939
10-[2-(Dimethylamino)ethylamino]-5-fluoro-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
CID 24803338
2-[(4,6-dimethylquinazolin-2-yl)amino]-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 631488
2-(2,3-dihydro-1H-indol-1-yl)-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 943239
10-[3-(Dimethylamino)propylamino]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one
CID 438572
ER-37328
CID 21849939

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methylquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one?
The IUPAC name of 1-(2-amino-4-methylquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one (CID 25061752) is 1-(2-amino-4-methylquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one.
What is the SMILES notation for 1-(2-amino-4-methylquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one?
The canonical SMILES for 1-(2-amino-4-methylquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one is Cc1cn(-c2ccc3c(C)nc(N)nc3c2)c2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 1-(2-amino-4-methylquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one?
The InChIKey is CMSOUOVTKNTIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-11-10-24(16-8-20(3,4)9-17(25)18(11)16)13-5-6-14-12(2)22-19(21)23-15(14)7-13/h5-7,10H,8-9H2,1-4H3,(H2,21,22,23).
What are the key properties of 1-(2-amino-4-methylquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one?
1-(2-amino-4-methylquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one has a molecular weight of 334.42 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methylquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one is sourced from PubChem (CID 25061752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).