7-[(3R)-3-amino-2-oxo-3-phenylpropyl]-3H-quinazolin-4-one

C17H15N3O2 — CID 148905393

IUPAC7-[(3R)-3-amino-2-oxo-3-phenylpropyl]-3H-quinazolin-4-one
SMILESN[C@@H](C(=O)Cc1ccc2c(=O)[nH]cnc2c1)c1ccccc1
InChIInChI=1S/C17H15N3O2/c18-16(12-4-2-1-3-5-12)15(21)9-11-6-7-13-14(8-11)19-10-20-17(13)22/h1-8,10,16H,9,18H2,(H,19,20,22)/t16-/m1/s1
InChIKeyPHOZNANOTAFALY-MRXNPFEDSA-N
MW293.33 g/mol
LogP1.73
Rot. Bonds4

About 7-[(3R)-3-amino-2-oxo-3-phenylpropyl]-3H-quinazolin-4-one

7-[(3R)-3-amino-2-oxo-3-phenylpropyl]-3H-quinazolin-4-one (PubChem CID 148905393) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 7-[(3R)-3-amino-2-oxo-3-phenylpropyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-[(3R)-3-amino-2-oxo-3-phenylpropyl]-3H-quinazolin-4-one
PubChem CID148905393
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name7-[(3R)-3-amino-2-oxo-3-phenylpropyl]-3H-quinazolin-4-one
SMILESN[C@@H](C(=O)Cc1ccc2c(=O)[nH]cnc2c1)c1ccccc1
InChIInChI=1S/C17H15N3O2/c18-16(12-4-2-1-3-5-12)15(21)9-11-6-7-13-14(8-11)19-10-20-17(13)22/h1-8,10,16H,9,18H2,(H,19,20,22)/t16-/m1/s1
InChIKeyPHOZNANOTAFALY-MRXNPFEDSA-N
XLogP1.73
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-(2,2-difluoroethyl)-3H-quinazolin-4-one
CID 155734124
(1R)-1-amino-3-(4-hydroxyphenyl)-1-phenylpropan-2-one
CID 104891138
1-amino-3-(3-hydroxyphenyl)-1-phenylpropan-2-one
CID 116551129
(1R)-1-amino-1-phenyl-3-pyridin-4-ylpropan-2-one
CID 104891227
2-(methylamino)-N-(4-oxo-3H-quinazolin-7-yl)-2-phenylacetamide
CID 135899085
(1R)-1-amino-3-(3,5-difluorophenyl)-1-phenylpropan-2-one
CID 105412057
ethane;7-phenylmethoxy-3H-quinazolin-4-one
CID 136656815
7-(2-bromoacetyl)-3H-quinazolin-4-one
CID 135714637
2-(benzylamino)-N-(4-oxo-3H-quinazolin-7-yl)acetamide
CID 135899077
1-amino-1-phenyl-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 116551173
7-(1,2-dihydroxy-3-sulfanylpropyl)-3H-quinazolin-4-one
CID 170820639
methane;3H-quinazolin-4-one
CID 143348425

Frequently Asked Questions

What is the IUPAC name of 7-[(3R)-3-amino-2-oxo-3-phenylpropyl]-3H-quinazolin-4-one?
The IUPAC name of 7-[(3R)-3-amino-2-oxo-3-phenylpropyl]-3H-quinazolin-4-one (CID 148905393) is 7-[(3R)-3-amino-2-oxo-3-phenylpropyl]-3H-quinazolin-4-one.
What is the SMILES notation for 7-[(3R)-3-amino-2-oxo-3-phenylpropyl]-3H-quinazolin-4-one?
The canonical SMILES for 7-[(3R)-3-amino-2-oxo-3-phenylpropyl]-3H-quinazolin-4-one is N[C@@H](C(=O)Cc1ccc2c(=O)[nH]cnc2c1)c1ccccc1.
What is the InChIKey of 7-[(3R)-3-amino-2-oxo-3-phenylpropyl]-3H-quinazolin-4-one?
The InChIKey is PHOZNANOTAFALY-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H15N3O2/c18-16(12-4-2-1-3-5-12)15(21)9-11-6-7-13-14(8-11)19-10-20-17(13)22/h1-8,10,16H,9,18H2,(H,19,20,22)/t16-/m1/s1.
What are the key properties of 7-[(3R)-3-amino-2-oxo-3-phenylpropyl]-3H-quinazolin-4-one?
7-[(3R)-3-amino-2-oxo-3-phenylpropyl]-3H-quinazolin-4-one has a molecular weight of 293.33 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3R)-3-amino-2-oxo-3-phenylpropyl]-3H-quinazolin-4-one is sourced from PubChem (CID 148905393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).