N-[3-(azepan-1-yl)propyl]-2-(2,4-dioxo-4aH-quinazolin-3-yl)acetamide

C19H26N4O3 — CID 73216955

IUPACN-[3-(azepan-1-yl)propyl]-2-(2,4-dioxo-4aH-quinazolin-3-yl)acetamide
SMILESO=C(CN1C(=O)N=C2C=CC=CC2C1=O)NCCCN1CCCCCC1
InChIInChI=1S/C19H26N4O3/c24-17(20-10-7-13-22-11-5-1-2-6-12-22)14-23-18(25)15-8-3-4-9-16(15)21-19(23)26/h3-4,8-9,15H,1-2,5-7,10-14H2,(H,20,24)
InChIKeyQJORJZVQJXEBDO-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.51
Rot. Bonds6

About N-[3-(azepan-1-yl)propyl]-2-(2,4-dioxo-4aH-quinazolin-3-yl)acetamide

N-[3-(azepan-1-yl)propyl]-2-(2,4-dioxo-4aH-quinazolin-3-yl)acetamide (PubChem CID 73216955) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[3-(azepan-1-yl)propyl]-2-(2,4-dioxo-4aH-quinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(azepan-1-yl)propyl]-2-(2,4-dioxo-4aH-quinazolin-3-yl)acetamide
PubChem CID73216955
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[3-(azepan-1-yl)propyl]-2-(2,4-dioxo-4aH-quinazolin-3-yl)acetamide
SMILESO=C(CN1C(=O)N=C2C=CC=CC2C1=O)NCCCN1CCCCCC1
InChIInChI=1S/C19H26N4O3/c24-17(20-10-7-13-22-11-5-1-2-6-12-22)14-23-18(25)15-8-3-4-9-16(15)21-19(23)26/h3-4,8-9,15H,1-2,5-7,10-14H2,(H,20,24)
InChIKeyQJORJZVQJXEBDO-UHFFFAOYSA-N
XLogP1.51
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 73216669
N-cyclohexyl-4-(2,4-dioxo-4aH-quinazolin-3-yl)butanamide
CID 73987696
5-[1-[2-(cyclohexylamino)-2-oxoethyl]-2,4-dioxo-4aH-quinazolin-1-ium-3-yl]-N-propan-2-ylpentanamide
CID 74526217
N-cyclohexyl-5-[1-[2-(cyclohexylamino)-2-oxoethyl]-2,4-dioxo-4aH-quinazolin-1-ium-3-yl]pentanamide
CID 74526283
2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-methylacetamide
CID 74650478
2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-ethylacetamide
CID 75134522
N-butyl-3-[1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,4-dioxo-4aH-quinazolin-1-ium-3-yl]propanamide
CID 75185757
N-[2-(diethylamino)ethyl]-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide
CID 78313028
6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-prop-2-enylhexanamide
CID 78326031
N-cyclohexyl-2-(4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)acetamide
CID 78326881
N-cyclopentyl-2-(2,4-dioxo-4aH-quinazolin-3-yl)acetamide
CID 78327447
3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-pentylpropanamide
CID 78328121

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-yl)propyl]-2-(2,4-dioxo-4aH-quinazolin-3-yl)acetamide?
The IUPAC name of N-[3-(azepan-1-yl)propyl]-2-(2,4-dioxo-4aH-quinazolin-3-yl)acetamide (CID 73216955) is N-[3-(azepan-1-yl)propyl]-2-(2,4-dioxo-4aH-quinazolin-3-yl)acetamide.
What is the SMILES notation for N-[3-(azepan-1-yl)propyl]-2-(2,4-dioxo-4aH-quinazolin-3-yl)acetamide?
The canonical SMILES for N-[3-(azepan-1-yl)propyl]-2-(2,4-dioxo-4aH-quinazolin-3-yl)acetamide is O=C(CN1C(=O)N=C2C=CC=CC2C1=O)NCCCN1CCCCCC1.
What is the InChIKey of N-[3-(azepan-1-yl)propyl]-2-(2,4-dioxo-4aH-quinazolin-3-yl)acetamide?
The InChIKey is QJORJZVQJXEBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c24-17(20-10-7-13-22-11-5-1-2-6-12-22)14-23-18(25)15-8-3-4-9-16(15)21-19(23)26/h3-4,8-9,15H,1-2,5-7,10-14H2,(H,20,24).
What are the key properties of N-[3-(azepan-1-yl)propyl]-2-(2,4-dioxo-4aH-quinazolin-3-yl)acetamide?
N-[3-(azepan-1-yl)propyl]-2-(2,4-dioxo-4aH-quinazolin-3-yl)acetamide has a molecular weight of 358.44 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-yl)propyl]-2-(2,4-dioxo-4aH-quinazolin-3-yl)acetamide is sourced from PubChem (CID 73216955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).