N-[(2,4-dimethoxyphenyl)methyl]-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide

C20H21N3O5 — CID 164627338

IUPACN-[(2,4-dimethoxyphenyl)methyl]-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
SMILESCOc1ccc(CNC(=O)CCn2c(=O)[nH]c3ccccc3c2=O)c(OC)c1
InChIInChI=1S/C20H21N3O5/c1-27-14-8-7-13(17(11-14)28-2)12-21-18(24)9-10-23-19(25)15-5-3-4-6-16(15)22-20(23)26/h3-8,11H,9-10,12H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyRSKOOICKGZCYQC-UHFFFAOYSA-N
MW383.40 g/mol
LogP1.41
Rot. Bonds7

About N-[(2,4-dimethoxyphenyl)methyl]-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide

N-[(2,4-dimethoxyphenyl)methyl]-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide (PubChem CID 164627338) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
PubChem CID164627338
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
SMILESCOc1ccc(CNC(=O)CCn2c(=O)[nH]c3ccccc3c2=O)c(OC)c1
InChIInChI=1S/C20H21N3O5/c1-27-14-8-7-13(17(11-14)28-2)12-21-18(24)9-10-23-19(25)15-5-3-4-6-16(15)22-20(23)26/h3-8,11H,9-10,12H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyRSKOOICKGZCYQC-UHFFFAOYSA-N
XLogP1.41
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,2-Dihydro-2-(4-methoxyphenyl)-4(3H)-quinazolinone
CID 484118
3-[(2-Methoxyphenyl)methyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one
CID 866360
2-(2-ethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 292560
2,2-diethyl-3-(4-methoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 703596
6-fluoro-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 4191572
2-(3,4-dimethoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 484122
3-[(4-methoxyphenyl)methyl]-2,4-dioxo-N-(3-pyrrolidin-1-ylpropyl)-1H-quinazoline-7-carboxamide
CID 3238409
4-(1-benzyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 15989301
3-(4-methoxyphenyl)-2,2-dimethyl-1H-quinazolin-4-one
CID 919612
ethyl 2-(2,4-dimethoxyphenyl)-4-oxo-1,4-dihydroquinazolin-3(2H)-ylcarbamate
CID 3422661
N-[2-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide
CID 3542369
5-(2,4-Dimethoxybenzyl)-1-(4-ethylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 592024

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide (CID 164627338) is N-[(2,4-dimethoxyphenyl)methyl]-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide is COc1ccc(CNC(=O)CCn2c(=O)[nH]c3ccccc3c2=O)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide?
The InChIKey is RSKOOICKGZCYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-27-14-8-7-13(17(11-14)28-2)12-21-18(24)9-10-23-19(25)15-5-3-4-6-16(15)22-20(23)26/h3-8,11H,9-10,12H2,1-2H3,(H,21,24)(H,22,26).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide?
N-[(2,4-dimethoxyphenyl)methyl]-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide has a molecular weight of 383.40 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide is sourced from PubChem (CID 164627338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).