2-[[4-[[4-[(4-fluorobenzoyl)amino]phenyl]methylamino]quinazolin-2-yl]amino]acetic acid

C24H20FN5O3 — CID 68941045

IUPAC2-[[4-[[4-[(4-fluorobenzoyl)amino]phenyl]methylamino]quinazolin-2-yl]amino]acetic acid
SMILESO=C(O)CNc1nc(NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c2ccccc2n1
InChIInChI=1S/C24H20FN5O3/c25-17-9-7-16(8-10-17)23(33)28-18-11-5-15(6-12-18)13-26-22-19-3-1-2-4-20(19)29-24(30-22)27-14-21(31)32/h1-12H,13-14H2,(H,28,33)(H,31,32)(H2,26,27,29,30)
InChIKeySOXJJHASOJTRAT-UHFFFAOYSA-N
MW445.45 g/mol
LogP4.13
Rot. Bonds8

About 2-[[4-[[4-[(4-fluorobenzoyl)amino]phenyl]methylamino]quinazolin-2-yl]amino]acetic acid

2-[[4-[[4-[(4-fluorobenzoyl)amino]phenyl]methylamino]quinazolin-2-yl]amino]acetic acid (PubChem CID 68941045) has the molecular formula C24H20FN5O3 and a molecular weight of 445.45 g/mol. Its IUPAC name is 2-[[4-[[4-[(4-fluorobenzoyl)amino]phenyl]methylamino]quinazolin-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[[4-[(4-fluorobenzoyl)amino]phenyl]methylamino]quinazolin-2-yl]amino]acetic acid
PubChem CID68941045
Molecular FormulaC24H20FN5O3
Molecular Weight445.45 g/mol
Exact Mass445.16
IUPAC Name2-[[4-[[4-[(4-fluorobenzoyl)amino]phenyl]methylamino]quinazolin-2-yl]amino]acetic acid
SMILESO=C(O)CNc1nc(NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c2ccccc2n1
InChIInChI=1S/C24H20FN5O3/c25-17-9-7-16(8-10-17)23(33)28-18-11-5-15(6-12-18)13-26-22-19-3-1-2-4-20(19)29-24(30-22)27-14-21(31)32/h1-12H,13-14H2,(H,28,33)(H,31,32)(H2,26,27,29,30)
InChIKeySOXJJHASOJTRAT-UHFFFAOYSA-N
XLogP4.13
TPSA116.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 54.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[4-[(4-fluorobenzoyl)amino]phenyl]methylamino]quinazolin-2-yl]amino]acetic acid?
The IUPAC name of 2-[[4-[[4-[(4-fluorobenzoyl)amino]phenyl]methylamino]quinazolin-2-yl]amino]acetic acid (CID 68941045) is 2-[[4-[[4-[(4-fluorobenzoyl)amino]phenyl]methylamino]quinazolin-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[[4-[(4-fluorobenzoyl)amino]phenyl]methylamino]quinazolin-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[4-[[4-[(4-fluorobenzoyl)amino]phenyl]methylamino]quinazolin-2-yl]amino]acetic acid is O=C(O)CNc1nc(NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c2ccccc2n1.
What is the InChIKey of 2-[[4-[[4-[(4-fluorobenzoyl)amino]phenyl]methylamino]quinazolin-2-yl]amino]acetic acid?
The InChIKey is SOXJJHASOJTRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O3/c25-17-9-7-16(8-10-17)23(33)28-18-11-5-15(6-12-18)13-26-22-19-3-1-2-4-20(19)29-24(30-22)27-14-21(31)32/h1-12H,13-14H2,(H,28,33)(H,31,32)(H2,26,27,29,30).
What are the key properties of 2-[[4-[[4-[(4-fluorobenzoyl)amino]phenyl]methylamino]quinazolin-2-yl]amino]acetic acid?
2-[[4-[[4-[(4-fluorobenzoyl)amino]phenyl]methylamino]quinazolin-2-yl]amino]acetic acid has a molecular weight of 445.45 g/mol, XLogP of 4.13, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[4-[(4-fluorobenzoyl)amino]phenyl]methylamino]quinazolin-2-yl]amino]acetic acid is sourced from PubChem (CID 68941045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).