(2R)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-quinazolin-4-one

C17H18N2O — CID 34364364

IUPAC(2R)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCC(C)c1ccc([C@H]2NC(=O)c3ccccc3N2)cc1
InChIInChI=1S/C17H18N2O/c1-11(2)12-7-9-13(10-8-12)16-18-15-6-4-3-5-14(15)17(20)19-16/h3-11,16,18H,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyNYTCUHJCCYJJIL-MRXNPFEDSA-N
MW266.34 g/mol
LogP3.66
Rot. Bonds2

About (2R)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-quinazolin-4-one

(2R)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 34364364) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is (2R)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name(2R)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-quinazolin-4-one
PubChem CID34364364
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name(2R)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCC(C)c1ccc([C@H]2NC(=O)c3ccccc3N2)cc1
InChIInChI=1S/C17H18N2O/c1-11(2)12-7-9-13(10-8-12)16-18-15-6-4-3-5-14(15)17(20)19-16/h3-11,16,18H,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyNYTCUHJCCYJJIL-MRXNPFEDSA-N
XLogP3.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of (2R)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-quinazolin-4-one (CID 34364364) is (2R)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for (2R)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for (2R)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-quinazolin-4-one is CC(C)c1ccc([C@H]2NC(=O)c3ccccc3N2)cc1.
What is the InChIKey of (2R)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is NYTCUHJCCYJJIL-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18N2O/c1-11(2)12-7-9-13(10-8-12)16-18-15-6-4-3-5-14(15)17(20)19-16/h3-11,16,18H,1-2H3,(H,19,20)/t16-/m1/s1.
What are the key properties of (2R)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-quinazolin-4-one?
(2R)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 266.34 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 34364364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).