(7R)-4,7-dimethyl-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one

C18H21N3O — CID 41001731

IUPAC(7R)-4,7-dimethyl-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(NCCc2ccccc2)nc2c1C(=O)C[C@H](C)C2
InChIInChI=1S/C18H21N3O/c1-12-10-15-17(16(22)11-12)13(2)20-18(21-15)19-9-8-14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3,(H,19,20,21)/t12-/m1/s1
InChIKeyBFENOGYSNWKDMP-GFCCVEGCSA-N
MW295.39 g/mol
LogP3.20
Rot. Bonds4

About (7R)-4,7-dimethyl-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one

(7R)-4,7-dimethyl-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 41001731) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is (7R)-4,7-dimethyl-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7R)-4,7-dimethyl-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID41001731
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name(7R)-4,7-dimethyl-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(NCCc2ccccc2)nc2c1C(=O)C[C@H](C)C2
InChIInChI=1S/C18H21N3O/c1-12-10-15-17(16(22)11-12)13(2)20-18(21-15)19-9-8-14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3,(H,19,20,21)/t12-/m1/s1
InChIKeyBFENOGYSNWKDMP-GFCCVEGCSA-N
XLogP3.20
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7R)-4,7-dimethyl-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7R)-4,7-dimethyl-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one (CID 41001731) is (7R)-4,7-dimethyl-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7R)-4,7-dimethyl-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7R)-4,7-dimethyl-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(NCCc2ccccc2)nc2c1C(=O)C[C@H](C)C2.
What is the InChIKey of (7R)-4,7-dimethyl-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is BFENOGYSNWKDMP-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H21N3O/c1-12-10-15-17(16(22)11-12)13(2)20-18(21-15)19-9-8-14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3,(H,19,20,21)/t12-/m1/s1.
What are the key properties of (7R)-4,7-dimethyl-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one?
(7R)-4,7-dimethyl-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 295.39 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-4,7-dimethyl-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 41001731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).