N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide

C19H17N3O3 — CID 18115170

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)NC1CCOc2ccccc21
InChIInChI=1S/C19H17N3O3/c23-18(21-16-9-10-25-17-8-4-2-5-13(16)17)11-22-12-20-15-7-3-1-6-14(15)19(22)24/h1-8,12,16H,9-11H2,(H,21,23)
InChIKeyDZQXHFDHWDFLPO-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.04
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide

N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 18115170) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID18115170
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)NC1CCOc2ccccc21
InChIInChI=1S/C19H17N3O3/c23-18(21-16-9-10-25-17-8-4-2-5-13(16)17)11-22-12-20-15-7-3-1-6-14(15)19(22)24/h1-8,12,16H,9-11H2,(H,21,23)
InChIKeyDZQXHFDHWDFLPO-UHFFFAOYSA-N
XLogP2.04
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 78789549
N-(2,3-dihydro-1H-inden-1-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 51273612
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 99844064
N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 4815745
N-(2-methylcyclohexyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2999724
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 47025787
N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 94080105
N-(3,4-dihydro-2H-chromen-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
CID 18121783
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 41194474
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 11918031
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 714396
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 110164098

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide (CID 18115170) is N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2ccccc2c1=O)NC1CCOc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is DZQXHFDHWDFLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-18(21-16-9-10-25-17-8-4-2-5-13(16)17)11-22-12-20-15-7-3-1-6-14(15)19(22)24/h1-8,12,16H,9-11H2,(H,21,23).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 335.36 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 18115170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).