6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-prop-2-enylhexanamide

C17H21N3O3 — CID 78326031

IUPAC6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-prop-2-enylhexanamide
SMILESC=CCNC(=O)CCCCCN1C(=O)N=C2C=CC=CC2C1=O
InChIInChI=1S/C17H21N3O3/c1-2-11-18-15(21)10-4-3-7-12-20-16(22)13-8-5-6-9-14(13)19-17(20)23/h2,5-6,8-9,13H,1,3-4,7,10-12H2,(H,18,21)
InChIKeyCGLXQCVOOIZLFN-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.99
Rot. Bonds8

About 6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-prop-2-enylhexanamide

6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-prop-2-enylhexanamide (PubChem CID 78326031) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-prop-2-enylhexanamide.

Molecular Properties

Compound Name6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-prop-2-enylhexanamide
PubChem CID78326031
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-prop-2-enylhexanamide
SMILESC=CCNC(=O)CCCCCN1C(=O)N=C2C=CC=CC2C1=O
InChIInChI=1S/C17H21N3O3/c1-2-11-18-15(21)10-4-3-7-12-20-16(22)13-8-5-6-9-14(13)19-17(20)23/h2,5-6,8-9,13H,1,3-4,7,10-12H2,(H,18,21)
InChIKeyCGLXQCVOOIZLFN-UHFFFAOYSA-N
XLogP1.99
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-6-(2,4-dioxo-4aH-quinazolin-3-yl)hexanamide
CID 78341563
6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-methylbutyl)hexanamide
CID 78328368
4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-prop-2-enylbutanamide
CID 78379150
6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide
CID 78328371
3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(2-methoxyethyl)propanamide
CID 78328124
methyl 3-(2,4-dioxo-4aH-quinazolin-3-yl)propanoate
CID 73255473
N-butan-2-yl-6-(4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)hexanamide
CID 78330377
3-(2-chloroethyl)-4aH-quinazoline-2,4-dione
CID 71650918
N-[(2-methoxyphenyl)methyl]-6-(4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)hexanamide
CID 78343273
3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 78328408
ethyl 4-[6-(4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)hexanoyl]piperazine-1-carboxylate
CID 73453160
N-[3-(2,4-dioxo-4aH-quinazolin-3-yl)propyl]-N-[4-[3-(2,4-dioxo-4aH-quinazolin-3-yl)propylamino]butyl]acetamide
CID 74957923

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-prop-2-enylhexanamide?
The IUPAC name of 6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-prop-2-enylhexanamide (CID 78326031) is 6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-prop-2-enylhexanamide.
What is the SMILES notation for 6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-prop-2-enylhexanamide?
The canonical SMILES for 6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-prop-2-enylhexanamide is C=CCNC(=O)CCCCCN1C(=O)N=C2C=CC=CC2C1=O.
What is the InChIKey of 6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-prop-2-enylhexanamide?
The InChIKey is CGLXQCVOOIZLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-2-11-18-15(21)10-4-3-7-12-20-16(22)13-8-5-6-9-14(13)19-17(20)23/h2,5-6,8-9,13H,1,3-4,7,10-12H2,(H,18,21).
What are the key properties of 6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-prop-2-enylhexanamide?
6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-prop-2-enylhexanamide has a molecular weight of 315.37 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-prop-2-enylhexanamide is sourced from PubChem (CID 78326031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).