4-[1-[3-[(3-fluorobenzoyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide

C24H20FN5O2 — CID 66762961

IUPAC4-[1-[3-[(3-fluorobenzoyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide
SMILESCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C24H20FN5O2/c1-14(29-23-20-10-4-9-19(22(26)31)21(20)27-13-28-23)15-5-3-8-18(12-15)30-24(32)16-6-2-7-17(25)11-16/h2-14H,1H3,(H2,26,31)(H,30,32)(H,27,28,29)
InChIKeyJPXOUJDDCUAQFV-UHFFFAOYSA-N
MW429.46 g/mol
LogP4.29
Rot. Bonds6

About 4-[1-[3-[(3-fluorobenzoyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide

4-[1-[3-[(3-fluorobenzoyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide (PubChem CID 66762961) has the molecular formula C24H20FN5O2 and a molecular weight of 429.46 g/mol. Its IUPAC name is 4-[1-[3-[(3-fluorobenzoyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[1-[3-[(3-fluorobenzoyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide
PubChem CID66762961
Molecular FormulaC24H20FN5O2
Molecular Weight429.46 g/mol
Exact Mass429.16
IUPAC Name4-[1-[3-[(3-fluorobenzoyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide
SMILESCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C24H20FN5O2/c1-14(29-23-20-10-4-9-19(22(26)31)21(20)27-13-28-23)15-5-3-8-18(12-15)30-24(32)16-6-2-7-17(25)11-16/h2-14H,1H3,(H2,26,31)(H,30,32)(H,27,28,29)
InChIKeyJPXOUJDDCUAQFV-UHFFFAOYSA-N
XLogP4.29
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[1-[3-[(3-fluorobenzoyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-[(3-fluorobenzoyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide?
The IUPAC name of 4-[1-[3-[(3-fluorobenzoyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide (CID 66762961) is 4-[1-[3-[(3-fluorobenzoyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[1-[3-[(3-fluorobenzoyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[1-[3-[(3-fluorobenzoyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide is CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2cccc(F)c2)c1.
What is the InChIKey of 4-[1-[3-[(3-fluorobenzoyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide?
The InChIKey is JPXOUJDDCUAQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O2/c1-14(29-23-20-10-4-9-19(22(26)31)21(20)27-13-28-23)15-5-3-8-18(12-15)30-24(32)16-6-2-7-17(25)11-16/h2-14H,1H3,(H2,26,31)(H,30,32)(H,27,28,29).
What are the key properties of 4-[1-[3-[(3-fluorobenzoyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide?
4-[1-[3-[(3-fluorobenzoyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide has a molecular weight of 429.46 g/mol, XLogP of 4.29, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-[(3-fluorobenzoyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide is sourced from PubChem (CID 66762961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).