N-[4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl]benzamide

C22H18N4O3 — CID 135566704

IUPACN-[4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl]benzamide
SMILESCOc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1O
InChIInChI=1S/C22H18N4O3/c1-29-20-11-17-18(12-19(20)27)23-13-24-21(17)25-15-7-9-16(10-8-15)26-22(28)14-5-3-2-4-6-14/h2-13,27H,1H3,(H,26,28)(H,23,24,25)
InChIKeyFRAOYGZBTRQIIP-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.34
Rot. Bonds5

About N-[4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl]benzamide

N-[4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl]benzamide (PubChem CID 135566704) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-[4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl]benzamide
PubChem CID135566704
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC NameN-[4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl]benzamide
SMILESCOc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1O
InChIInChI=1S/C22H18N4O3/c1-29-20-11-17-18(12-19(20)27)23-13-24-21(17)25-15-7-9-16(10-8-15)26-22(28)14-5-3-2-4-6-14/h2-13,27H,1H3,(H,26,28)(H,23,24,25)
InChIKeyFRAOYGZBTRQIIP-UHFFFAOYSA-N
XLogP4.34
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl]benzamide?
The IUPAC name of N-[4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl]benzamide (CID 135566704) is N-[4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl]benzamide.
What is the SMILES notation for N-[4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl]benzamide?
The canonical SMILES for N-[4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl]benzamide is COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1O.
What is the InChIKey of N-[4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl]benzamide?
The InChIKey is FRAOYGZBTRQIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-29-20-11-17-18(12-19(20)27)23-13-24-21(17)25-15-7-9-16(10-8-15)26-22(28)14-5-3-2-4-6-14/h2-13,27H,1H3,(H,26,28)(H,23,24,25).
What are the key properties of N-[4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl]benzamide?
N-[4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl]benzamide has a molecular weight of 386.41 g/mol, XLogP of 4.34, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl]benzamide is sourced from PubChem (CID 135566704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).