6-[methyl(prop-2-enyl)amino]-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one

C24H29N3O — CID 45141171

IUPAC6-[methyl(prop-2-enyl)amino]-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one
SMILESC=CCN(C)c1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2C(C)C
InChIInChI=1S/C24H29N3O/c1-7-14-26(6)20-12-13-22-21(15-20)23(25-24(28)27(22)17(4)5)19-10-8-18(9-11-19)16(2)3/h7-13,15-17H,1,14H2,2-6H3
InChIKeyPNNVERCYMYMRRV-UHFFFAOYSA-N
MW375.52 g/mol
LogP5.39
Rot. Bonds6

About 6-[methyl(prop-2-enyl)amino]-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one

6-[methyl(prop-2-enyl)amino]-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one (PubChem CID 45141171) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 6-[methyl(prop-2-enyl)amino]-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one.

Molecular Properties

Compound Name6-[methyl(prop-2-enyl)amino]-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one
PubChem CID45141171
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name6-[methyl(prop-2-enyl)amino]-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one
SMILESC=CCN(C)c1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2C(C)C
InChIInChI=1S/C24H29N3O/c1-7-14-26(6)20-12-13-22-21(15-20)23(25-24(28)27(22)17(4)5)19-10-8-18(9-11-19)16(2)3/h7-13,15-17H,1,14H2,2-6H3
InChIKeyPNNVERCYMYMRRV-UHFFFAOYSA-N
XLogP5.39
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[methyl(prop-2-enyl)amino]-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one?
The IUPAC name of 6-[methyl(prop-2-enyl)amino]-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one (CID 45141171) is 6-[methyl(prop-2-enyl)amino]-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one.
What is the SMILES notation for 6-[methyl(prop-2-enyl)amino]-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one?
The canonical SMILES for 6-[methyl(prop-2-enyl)amino]-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one is C=CCN(C)c1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2C(C)C.
What is the InChIKey of 6-[methyl(prop-2-enyl)amino]-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one?
The InChIKey is PNNVERCYMYMRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-7-14-26(6)20-12-13-22-21(15-20)23(25-24(28)27(22)17(4)5)19-10-8-18(9-11-19)16(2)3/h7-13,15-17H,1,14H2,2-6H3.
What are the key properties of 6-[methyl(prop-2-enyl)amino]-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one?
6-[methyl(prop-2-enyl)amino]-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one has a molecular weight of 375.52 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(prop-2-enyl)amino]-1-propan-2-yl-4-(4-propan-2-ylphenyl)quinazolin-2-one is sourced from PubChem (CID 45141171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).