N-(2-amino-1-cyclopropylethyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide

C16H20N4O3 — CID 119615038

IUPACN-(2-amino-1-cyclopropylethyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide
SMILESNCC(NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)C1CC1
InChIInChI=1S/C16H20N4O3/c17-9-12(10-5-6-10)18-14(21)7-8-20-13-4-2-1-3-11(13)15(22)19-16(20)23/h1-4,10,12H,5-9,17H2,(H,18,21)(H,19,22,23)
InChIKeyOXGBINSSCIRQAF-UHFFFAOYSA-N
MW316.36 g/mol
LogP-0.07
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide

N-(2-amino-1-cyclopropylethyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide (PubChem CID 119615038) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide
PubChem CID119615038
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide
SMILESNCC(NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)C1CC1
InChIInChI=1S/C16H20N4O3/c17-9-12(10-5-6-10)18-14(21)7-8-20-13-4-2-1-3-11(13)15(22)19-16(20)23/h1-4,10,12H,5-9,17H2,(H,18,21)(H,19,22,23)
InChIKeyOXGBINSSCIRQAF-UHFFFAOYSA-N
XLogP-0.07
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide (CID 119615038) is N-(2-amino-1-cyclopropylethyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide is NCC(NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide?
The InChIKey is OXGBINSSCIRQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c17-9-12(10-5-6-10)18-14(21)7-8-20-13-4-2-1-3-11(13)15(22)19-16(20)23/h1-4,10,12H,5-9,17H2,(H,18,21)(H,19,22,23).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide?
N-(2-amino-1-cyclopropylethyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide has a molecular weight of 316.36 g/mol, XLogP of -0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide is sourced from PubChem (CID 119615038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).