N-(4-methoxyphenyl)-4-(4-oxoquinazolin-3-yl)butanamide

C19H19N3O3 — CID 4903173

IUPACN-(4-methoxyphenyl)-4-(4-oxoquinazolin-3-yl)butanamide
SMILESCOc1ccc(NC(=O)CCCn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C19H19N3O3/c1-25-15-10-8-14(9-11-15)21-18(23)7-4-12-22-13-20-17-6-3-2-5-16(17)19(22)24/h2-3,5-6,8-11,13H,4,7,12H2,1H3,(H,21,23)
InChIKeyBBLSDNCQBAABFZ-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.82
Rot. Bonds6

About N-(4-methoxyphenyl)-4-(4-oxoquinazolin-3-yl)butanamide

N-(4-methoxyphenyl)-4-(4-oxoquinazolin-3-yl)butanamide (PubChem CID 4903173) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-(4-oxoquinazolin-3-yl)butanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-(4-oxoquinazolin-3-yl)butanamide
PubChem CID4903173
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(4-methoxyphenyl)-4-(4-oxoquinazolin-3-yl)butanamide
SMILESCOc1ccc(NC(=O)CCCn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C19H19N3O3/c1-25-15-10-8-14(9-11-15)21-18(23)7-4-12-22-13-20-17-6-3-2-5-16(17)19(22)24/h2-3,5-6,8-11,13H,4,7,12H2,1H3,(H,21,23)
InChIKeyBBLSDNCQBAABFZ-UHFFFAOYSA-N
XLogP2.82
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-(4-oxoquinazolin-3-yl)butanamide?
The IUPAC name of N-(4-methoxyphenyl)-4-(4-oxoquinazolin-3-yl)butanamide (CID 4903173) is N-(4-methoxyphenyl)-4-(4-oxoquinazolin-3-yl)butanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-(4-oxoquinazolin-3-yl)butanamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-(4-oxoquinazolin-3-yl)butanamide is COc1ccc(NC(=O)CCCn2cnc3ccccc3c2=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-(4-oxoquinazolin-3-yl)butanamide?
The InChIKey is BBLSDNCQBAABFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-25-15-10-8-14(9-11-15)21-18(23)7-4-12-22-13-20-17-6-3-2-5-16(17)19(22)24/h2-3,5-6,8-11,13H,4,7,12H2,1H3,(H,21,23).
What are the key properties of N-(4-methoxyphenyl)-4-(4-oxoquinazolin-3-yl)butanamide?
N-(4-methoxyphenyl)-4-(4-oxoquinazolin-3-yl)butanamide has a molecular weight of 337.38 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-(4-oxoquinazolin-3-yl)butanamide is sourced from PubChem (CID 4903173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).