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

C24H20FN5O3 — CID 46869912

IUPAC4-[1-[3-[(4-fluoro-3-hydroxybenzoyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide
SMILESCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(F)c(O)c2)c1
InChIInChI=1S/C24H20FN5O3/c1-13(29-23-18-7-3-6-17(22(26)32)21(18)27-12-28-23)14-4-2-5-16(10-14)30-24(33)15-8-9-19(25)20(31)11-15/h2-13,31H,1H3,(H2,26,32)(H,30,33)(H,27,28,29)
InChIKeySICPNVSSMIOAEC-UHFFFAOYSA-N
MW445.45 g/mol
LogP4.00
Rot. Bonds6

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

4-[1-[3-[(4-fluoro-3-hydroxybenzoyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide (PubChem CID 46869912) has the molecular formula C24H20FN5O3 and a molecular weight of 445.45 g/mol. Its IUPAC name is 4-[1-[3-[(4-fluoro-3-hydroxybenzoyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[1-[3-[(4-fluoro-3-hydroxybenzoyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide
PubChem CID46869912
Molecular FormulaC24H20FN5O3
Molecular Weight445.45 g/mol
Exact Mass445.16
IUPAC Name4-[1-[3-[(4-fluoro-3-hydroxybenzoyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide
SMILESCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(F)c(O)c2)c1
InChIInChI=1S/C24H20FN5O3/c1-13(29-23-18-7-3-6-17(22(26)32)21(18)27-12-28-23)14-4-2-5-16(10-14)30-24(33)15-8-9-19(25)20(31)11-15/h2-13,31H,1H3,(H2,26,32)(H,30,33)(H,27,28,29)
InChIKeySICPNVSSMIOAEC-UHFFFAOYSA-N
XLogP4.00
TPSA130.23 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 54.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-[(4-fluoro-3-hydroxybenzoyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide?
The IUPAC name of 4-[1-[3-[(4-fluoro-3-hydroxybenzoyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide (CID 46869912) is 4-[1-[3-[(4-fluoro-3-hydroxybenzoyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[1-[3-[(4-fluoro-3-hydroxybenzoyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[1-[3-[(4-fluoro-3-hydroxybenzoyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide is CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(F)c(O)c2)c1.
What is the InChIKey of 4-[1-[3-[(4-fluoro-3-hydroxybenzoyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide?
The InChIKey is SICPNVSSMIOAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O3/c1-13(29-23-18-7-3-6-17(22(26)32)21(18)27-12-28-23)14-4-2-5-16(10-14)30-24(33)15-8-9-19(25)20(31)11-15/h2-13,31H,1H3,(H2,26,32)(H,30,33)(H,27,28,29).
What are the key properties of 4-[1-[3-[(4-fluoro-3-hydroxybenzoyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide?
4-[1-[3-[(4-fluoro-3-hydroxybenzoyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide has a molecular weight of 445.45 g/mol, XLogP of 4.00, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-[(4-fluoro-3-hydroxybenzoyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide is sourced from PubChem (CID 46869912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).