N-[(2-methoxyphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide

C19H19N3O3 — CID 135422756

IUPACN-[(2-methoxyphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCOc1ccccc1CNC(=O)CCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H19N3O3/c1-25-16-9-5-2-6-13(16)12-20-18(23)11-10-17-21-15-8-4-3-7-14(15)19(24)22-17/h2-9H,10-12H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyBSQMKJKJKYNPGA-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.18
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide

N-[(2-methoxyphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide (PubChem CID 135422756) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
PubChem CID135422756
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCOc1ccccc1CNC(=O)CCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H19N3O3/c1-25-16-9-5-2-6-13(16)12-20-18(23)11-10-17-21-15-8-4-3-7-14(15)19(24)22-17/h2-9H,10-12H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyBSQMKJKJKYNPGA-UHFFFAOYSA-N
XLogP2.18
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide (CID 135422756) is N-[(2-methoxyphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide is COc1ccccc1CNC(=O)CCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The InChIKey is BSQMKJKJKYNPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-25-16-9-5-2-6-13(16)12-20-18(23)11-10-17-21-15-8-4-3-7-14(15)19(24)22-17/h2-9H,10-12H2,1H3,(H,20,23)(H,21,22,24).
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
N-[(2-methoxyphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide has a molecular weight of 337.38 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide is sourced from PubChem (CID 135422756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).