N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-phenylpropanamide

C19H21N3O2 — CID 683031

IUPACN-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-phenylpropanamide
SMILESCC1(C)CC(=O)c2cnc(NC(=O)CCc3ccccc3)nc2C1
InChIInChI=1S/C19H21N3O2/c1-19(2)10-15-14(16(23)11-19)12-20-18(21-15)22-17(24)9-8-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,20,21,22,24)
InChIKeyPWGHDJINTPWRPJ-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.20
Rot. Bonds4

About N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-phenylpropanamide

N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-phenylpropanamide (PubChem CID 683031) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-phenylpropanamide
PubChem CID683031
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-phenylpropanamide
SMILESCC1(C)CC(=O)c2cnc(NC(=O)CCc3ccccc3)nc2C1
InChIInChI=1S/C19H21N3O2/c1-19(2)10-15-14(16(23)11-19)12-20-18(21-15)22-17(24)9-8-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,20,21,22,24)
InChIKeyPWGHDJINTPWRPJ-UHFFFAOYSA-N
XLogP3.20
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-phenylpropanamide?
The IUPAC name of N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-phenylpropanamide (CID 683031) is N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-phenylpropanamide is CC1(C)CC(=O)c2cnc(NC(=O)CCc3ccccc3)nc2C1.
What is the InChIKey of N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-phenylpropanamide?
The InChIKey is PWGHDJINTPWRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-19(2)10-15-14(16(23)11-19)12-20-18(21-15)22-17(24)9-8-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,20,21,22,24).
What are the key properties of N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-phenylpropanamide?
N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-phenylpropanamide has a molecular weight of 323.40 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 N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 683031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).