4-fluoro-2-methyl-5-[(7-phenylmethoxyquinazolin-4-yl)amino]phenol

C22H18FN3O2 — CID 16759369

IUPAC4-fluoro-2-methyl-5-[(7-phenylmethoxyquinazolin-4-yl)amino]phenol
SMILESCc1cc(F)c(Nc2ncnc3cc(OCc4ccccc4)ccc23)cc1O
InChIInChI=1S/C22H18FN3O2/c1-14-9-18(23)20(11-21(14)27)26-22-17-8-7-16(10-19(17)24-13-25-22)28-12-15-5-3-2-4-6-15/h2-11,13,27H,12H2,1H3,(H,24,25,26)
InChIKeyNVBNDZZLJRYRPD-UHFFFAOYSA-N
MW375.40 g/mol
LogP5.11
Rot. Bonds5

About 4-fluoro-2-methyl-5-[(7-phenylmethoxyquinazolin-4-yl)amino]phenol

4-fluoro-2-methyl-5-[(7-phenylmethoxyquinazolin-4-yl)amino]phenol (PubChem CID 16759369) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is 4-fluoro-2-methyl-5-[(7-phenylmethoxyquinazolin-4-yl)amino]phenol.

Molecular Properties

Compound Name4-fluoro-2-methyl-5-[(7-phenylmethoxyquinazolin-4-yl)amino]phenol
PubChem CID16759369
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC Name4-fluoro-2-methyl-5-[(7-phenylmethoxyquinazolin-4-yl)amino]phenol
SMILESCc1cc(F)c(Nc2ncnc3cc(OCc4ccccc4)ccc23)cc1O
InChIInChI=1S/C22H18FN3O2/c1-14-9-18(23)20(11-21(14)27)26-22-17-8-7-16(10-19(17)24-13-25-22)28-12-15-5-3-2-4-6-15/h2-11,13,27H,12H2,1H3,(H,24,25,26)
InChIKeyNVBNDZZLJRYRPD-UHFFFAOYSA-N
XLogP5.11
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.40
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Whi-p131
CID 3794
5-{[1-(2-Fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine
CID 23729147
6,7-dimethoxy-N-phenylquinazolin-4-amine
CID 3798
4-(3-Hydroxyanilino)-6,7-Dimethoxyquinazoline
CID 5687
N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
Src Kinase Inhibitor I
CID 1474853
5-[(6,7-Dimethoxyquinazolin-4-yl)amino]-4-fluoro-2-methylphenol
CID 5329010
6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
5-[(6,7-Dimethoxyquinazolin-4-yl)amino]-2-methylphenol
CID 10425574
5-(2-Fluorobenzyloxy)quinazoline-2,4-diamine
CID 24778025
N-(4-Phenoxyphenyl)-4-quinazolinamine
CID 712152
11N-112
CID 1474883

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-5-[(7-phenylmethoxyquinazolin-4-yl)amino]phenol?
The IUPAC name of 4-fluoro-2-methyl-5-[(7-phenylmethoxyquinazolin-4-yl)amino]phenol (CID 16759369) is 4-fluoro-2-methyl-5-[(7-phenylmethoxyquinazolin-4-yl)amino]phenol.
What is the SMILES notation for 4-fluoro-2-methyl-5-[(7-phenylmethoxyquinazolin-4-yl)amino]phenol?
The canonical SMILES for 4-fluoro-2-methyl-5-[(7-phenylmethoxyquinazolin-4-yl)amino]phenol is Cc1cc(F)c(Nc2ncnc3cc(OCc4ccccc4)ccc23)cc1O.
What is the InChIKey of 4-fluoro-2-methyl-5-[(7-phenylmethoxyquinazolin-4-yl)amino]phenol?
The InChIKey is NVBNDZZLJRYRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c1-14-9-18(23)20(11-21(14)27)26-22-17-8-7-16(10-19(17)24-13-25-22)28-12-15-5-3-2-4-6-15/h2-11,13,27H,12H2,1H3,(H,24,25,26).
What are the key properties of 4-fluoro-2-methyl-5-[(7-phenylmethoxyquinazolin-4-yl)amino]phenol?
4-fluoro-2-methyl-5-[(7-phenylmethoxyquinazolin-4-yl)amino]phenol has a molecular weight of 375.40 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-5-[(7-phenylmethoxyquinazolin-4-yl)amino]phenol is sourced from PubChem (CID 16759369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).