4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]butanamide

C21H23N3O3 — CID 4103924

IUPAC4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]butanamide
SMILESCc1ccc(CCNC(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C21H23N3O3/c1-15-8-10-16(11-9-15)12-13-22-19(25)7-4-14-24-20(26)17-5-2-3-6-18(17)23-21(24)27/h2-3,5-6,8-11H,4,7,12-14H2,1H3,(H,22,25)(H,23,27)
InChIKeyBRTLZPQPKCBUKT-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.14
Rot. Bonds7

About 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]butanamide

4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]butanamide (PubChem CID 4103924) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]butanamide
PubChem CID4103924
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]butanamide
SMILESCc1ccc(CCNC(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C21H23N3O3/c1-15-8-10-16(11-9-15)12-13-22-19(25)7-4-14-24-20(26)17-5-2-3-6-18(17)23-21(24)27/h2-3,5-6,8-11H,4,7,12-14H2,1H3,(H,22,25)(H,23,27)
InChIKeyBRTLZPQPKCBUKT-UHFFFAOYSA-N
XLogP2.14
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)propanamide
CID 4068208
5-(2,4-dioxo-1H-quinazolin-3-yl)-N-propylpentanamide
CID 119103654
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-methoxyphenyl)ethyl]butanamide
CID 39043523
4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide
CID 15988164
N-[2-(cyclohexen-1-yl)ethyl]-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4114746
6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-[2-(4-methylphenyl)ethyl]hexanamide
CID 22423579
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 119103707
6-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)hexanamide
CID 15988281
3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]propanamide
CID 46506321
methyl 3-[6-[2-(4-chlorophenyl)ethylamino]-6-oxohexyl]-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 4091982
6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]hexanamide
CID 26081869
N-benzyl-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanamide
CID 3509459

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]butanamide?
The IUPAC name of 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]butanamide (CID 4103924) is 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]butanamide.
What is the SMILES notation for 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]butanamide?
The canonical SMILES for 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]butanamide is Cc1ccc(CCNC(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)cc1.
What is the InChIKey of 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]butanamide?
The InChIKey is BRTLZPQPKCBUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15-8-10-16(11-9-15)12-13-22-19(25)7-4-14-24-20(26)17-5-2-3-6-18(17)23-21(24)27/h2-3,5-6,8-11H,4,7,12-14H2,1H3,(H,22,25)(H,23,27).
What are the key properties of 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]butanamide?
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]butanamide has a molecular weight of 365.43 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]butanamide is sourced from PubChem (CID 4103924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).