6-(diethylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one

C24H31N3O — CID 45140972

IUPAC6-(diethylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one
SMILESCCN(CC)c1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2C(C)C
InChIInChI=1S/C24H31N3O/c1-7-26(8-2)20-13-14-22-21(15-20)23(25-24(28)27(22)17(5)6)19-11-9-18(10-12-19)16(3)4/h9-17H,7-8H2,1-6H3
InChIKeySEAOJYANTZZATC-UHFFFAOYSA-N
MW377.53 g/mol
LogP5.61
Rot. Bonds6

About 6-(diethylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one

6-(diethylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one (PubChem CID 45140972) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 6-(diethylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one.

Molecular Properties

Compound Name6-(diethylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one
PubChem CID45140972
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name6-(diethylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one
SMILESCCN(CC)c1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2C(C)C
InChIInChI=1S/C24H31N3O/c1-7-26(8-2)20-13-14-22-21(15-20)23(25-24(28)27(22)17(5)6)19-11-9-18(10-12-19)16(3)4/h9-17H,7-8H2,1-6H3
InChIKeySEAOJYANTZZATC-UHFFFAOYSA-N
XLogP5.61
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Proquazone
CID 31508
Fluproquazone
CID 38503
6-Allylamino-1-isopropyl-4-(4-isopropyl-phenyl)-1H-quinazolin-2-one
CID 11451283
6-(Ethylamino)-1-isopropyl-4-(4-isopropyl-phenyl)-1H-quinazolin-2-one
CID 45140971
2(1H)-Quinazolinone, 1-(1-methylethyl)-4-[4-(1-methylethyl)phenyl]-6-(2-propyn-1-ylamino)-
CID 45141172
6-Dipropargylamino-1-isopropyl-4-(4-isopropyl-phenyl)-1Hquinazolin-2-one
CID 45141173
6-(Allyl-methyl-amino)-1-isopropyl-4-(4-isopropyl-phenyl)-1H-quinazolin-2-one
CID 45141171
6-(Propylamino)-1-isopropyl-4-(4-isopropyl-phenyl)-1H-quinazolin-2-one
CID 45140973
6-Dipropylamino-1-isopropyl-4-(4-isopropyl-phenyl)-1H-quinazolin-2-one
CID 45140974
1,4-Benzdiaz-2-ON,1ME5(PH)7dimeam
CID 23275841
6-(Benzylylamino)-1-isopropyl-4-(4-isopropyl-phenyl)-1H-quinazolin-2-one
CID 45141174
Quinazolin-2-one,1-ME-4-phenyl
CID 10561790

Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one?
The IUPAC name of 6-(diethylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one (CID 45140972) is 6-(diethylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one.
What is the SMILES notation for 6-(diethylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one?
The canonical SMILES for 6-(diethylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one is CCN(CC)c1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2C(C)C.
What is the InChIKey of 6-(diethylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one?
The InChIKey is SEAOJYANTZZATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-7-26(8-2)20-13-14-22-21(15-20)23(25-24(28)27(22)17(5)6)19-11-9-18(10-12-19)16(3)4/h9-17H,7-8H2,1-6H3.
What are the key properties of 6-(diethylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one?
6-(diethylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one has a molecular weight of 377.53 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one is sourced from PubChem (CID 45140972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).