N-[1-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-[2-(dimethylamino)ethyl]decanamide

C31H41N5O2 — CID 11386761

IUPACN-[1-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-[2-(dimethylamino)ethyl]decanamide
SMILESCCCCCCCCCC(=O)N(CCN(C)C)C(C)c1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1
InChIInChI=1S/C31H41N5O2/c1-5-6-7-8-9-10-11-16-29(37)35(22-21-34(3)4)24(2)30-33-28-15-13-12-14-27(28)31(38)36(30)26-19-17-25(23-32)18-20-26/h12-15,17-20,24H,5-11,16,21-22H2,1-4H3
InChIKeyKTSFPXCHLDGJCF-UHFFFAOYSA-N
MW515.70 g/mol
LogP5.85
Rot. Bonds14

About N-[1-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-[2-(dimethylamino)ethyl]decanamide

N-[1-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-[2-(dimethylamino)ethyl]decanamide (PubChem CID 11386761) has the molecular formula C31H41N5O2 and a molecular weight of 515.70 g/mol. Its IUPAC name is N-[1-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-[2-(dimethylamino)ethyl]decanamide.

Molecular Properties

Compound NameN-[1-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-[2-(dimethylamino)ethyl]decanamide
PubChem CID11386761
Molecular FormulaC31H41N5O2
Molecular Weight515.70 g/mol
Exact Mass515.33
IUPAC NameN-[1-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-[2-(dimethylamino)ethyl]decanamide
SMILESCCCCCCCCCC(=O)N(CCN(C)C)C(C)c1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1
InChIInChI=1S/C31H41N5O2/c1-5-6-7-8-9-10-11-16-29(37)35(22-21-34(3)4)24(2)30-33-28-15-13-12-14-27(28)31(38)36(30)26-19-17-25(23-32)18-20-26/h12-15,17-20,24H,5-11,16,21-22H2,1-4H3
InChIKeyKTSFPXCHLDGJCF-UHFFFAOYSA-N
XLogP5.85
TPSA82.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.70
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-[2-(dimethylamino)ethyl]decanamide?
The IUPAC name of N-[1-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-[2-(dimethylamino)ethyl]decanamide (CID 11386761) is N-[1-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-[2-(dimethylamino)ethyl]decanamide.
What is the SMILES notation for N-[1-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-[2-(dimethylamino)ethyl]decanamide?
The canonical SMILES for N-[1-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-[2-(dimethylamino)ethyl]decanamide is CCCCCCCCCC(=O)N(CCN(C)C)C(C)c1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1.
What is the InChIKey of N-[1-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-[2-(dimethylamino)ethyl]decanamide?
The InChIKey is KTSFPXCHLDGJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N5O2/c1-5-6-7-8-9-10-11-16-29(37)35(22-21-34(3)4)24(2)30-33-28-15-13-12-14-27(28)31(38)36(30)26-19-17-25(23-32)18-20-26/h12-15,17-20,24H,5-11,16,21-22H2,1-4H3.
What are the key properties of N-[1-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-[2-(dimethylamino)ethyl]decanamide?
N-[1-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-[2-(dimethylamino)ethyl]decanamide has a molecular weight of 515.70 g/mol, XLogP of 5.85, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-[2-(dimethylamino)ethyl]decanamide is sourced from PubChem (CID 11386761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).