N-(1-amino-4-methylpentan-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide

C16H22N4O3 — CID 119587740

IUPACN-(1-amino-4-methylpentan-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
SMILESCC(C)CC(CN)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C16H22N4O3/c1-10(2)7-11(8-17)18-14(21)9-20-15(22)12-5-3-4-6-13(12)19-16(20)23/h3-6,10-11H,7-9,17H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyICDKUZSHHQDHIJ-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.18
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide

N-(1-amino-4-methylpentan-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide (PubChem CID 119587740) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
PubChem CID119587740
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
SMILESCC(C)CC(CN)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C16H22N4O3/c1-10(2)7-11(8-17)18-14(21)9-20-15(22)12-5-3-4-6-13(12)19-16(20)23/h3-6,10-11H,7-9,17H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyICDKUZSHHQDHIJ-UHFFFAOYSA-N
XLogP0.18
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide (CID 119587740) is N-(1-amino-4-methylpentan-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide is CC(C)CC(CN)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide?
The InChIKey is ICDKUZSHHQDHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-10(2)7-11(8-17)18-14(21)9-20-15(22)12-5-3-4-6-13(12)19-16(20)23/h3-6,10-11H,7-9,17H2,1-2H3,(H,18,21)(H,19,23).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide?
N-(1-amino-4-methylpentan-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide has a molecular weight of 318.38 g/mol, XLogP of 0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide is sourced from PubChem (CID 119587740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).