4-[1-(3-benzamidophenyl)ethylamino]quinazoline-8-carboxamide

C24H21N5O2 — CID 66762385

IUPAC4-[1-(3-benzamidophenyl)ethylamino]quinazoline-8-carboxamide
SMILESCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C24H21N5O2/c1-15(28-23-20-12-6-11-19(22(25)30)21(20)26-14-27-23)17-9-5-10-18(13-17)29-24(31)16-7-3-2-4-8-16/h2-15H,1H3,(H2,25,30)(H,29,31)(H,26,27,28)
InChIKeyUUVFRMLWZBOAOM-UHFFFAOYSA-N
MW411.47 g/mol
LogP4.15
Rot. Bonds6

About 4-[1-(3-benzamidophenyl)ethylamino]quinazoline-8-carboxamide

4-[1-(3-benzamidophenyl)ethylamino]quinazoline-8-carboxamide (PubChem CID 66762385) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 4-[1-(3-benzamidophenyl)ethylamino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[1-(3-benzamidophenyl)ethylamino]quinazoline-8-carboxamide
PubChem CID66762385
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name4-[1-(3-benzamidophenyl)ethylamino]quinazoline-8-carboxamide
SMILESCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C24H21N5O2/c1-15(28-23-20-12-6-11-19(22(25)30)21(20)26-14-27-23)17-9-5-10-18(13-17)29-24(31)16-7-3-2-4-8-16/h2-15H,1H3,(H2,25,30)(H,29,31)(H,26,27,28)
InChIKeyUUVFRMLWZBOAOM-UHFFFAOYSA-N
XLogP4.15
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-benzamidophenyl)ethylamino]quinazoline-8-carboxamide?
The IUPAC name of 4-[1-(3-benzamidophenyl)ethylamino]quinazoline-8-carboxamide (CID 66762385) is 4-[1-(3-benzamidophenyl)ethylamino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[1-(3-benzamidophenyl)ethylamino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[1-(3-benzamidophenyl)ethylamino]quinazoline-8-carboxamide is CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of 4-[1-(3-benzamidophenyl)ethylamino]quinazoline-8-carboxamide?
The InChIKey is UUVFRMLWZBOAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-15(28-23-20-12-6-11-19(22(25)30)21(20)26-14-27-23)17-9-5-10-18(13-17)29-24(31)16-7-3-2-4-8-16/h2-15H,1H3,(H2,25,30)(H,29,31)(H,26,27,28).
What are the key properties of 4-[1-(3-benzamidophenyl)ethylamino]quinazoline-8-carboxamide?
4-[1-(3-benzamidophenyl)ethylamino]quinazoline-8-carboxamide has a molecular weight of 411.47 g/mol, XLogP of 4.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-benzamidophenyl)ethylamino]quinazoline-8-carboxamide is sourced from PubChem (CID 66762385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).