3-[[6-[4-(dimethylamino)phenyl]quinazolin-4-yl]amino]phenol

C22H20N4O — CID 71610588

IUPAC3-[[6-[4-(dimethylamino)phenyl]quinazolin-4-yl]amino]phenol
SMILESCN(C)c1ccc(-c2ccc3ncnc(Nc4cccc(O)c4)c3c2)cc1
InChIInChI=1S/C22H20N4O/c1-26(2)18-9-6-15(7-10-18)16-8-11-21-20(12-16)22(24-14-23-21)25-17-4-3-5-19(27)13-17/h3-14,27H,1-2H3,(H,23,24,25)
InChIKeyQTSVTHYYVYDIKZ-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.81
Rot. Bonds4

About 3-[[6-[4-(dimethylamino)phenyl]quinazolin-4-yl]amino]phenol

3-[[6-[4-(dimethylamino)phenyl]quinazolin-4-yl]amino]phenol (PubChem CID 71610588) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-[[6-[4-(dimethylamino)phenyl]quinazolin-4-yl]amino]phenol.

Molecular Properties

Compound Name3-[[6-[4-(dimethylamino)phenyl]quinazolin-4-yl]amino]phenol
PubChem CID71610588
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name3-[[6-[4-(dimethylamino)phenyl]quinazolin-4-yl]amino]phenol
SMILESCN(C)c1ccc(-c2ccc3ncnc(Nc4cccc(O)c4)c3c2)cc1
InChIInChI=1S/C22H20N4O/c1-26(2)18-9-6-15(7-10-18)16-8-11-21-20(12-16)22(24-14-23-21)25-17-4-3-5-19(27)13-17/h3-14,27H,1-2H3,(H,23,24,25)
InChIKeyQTSVTHYYVYDIKZ-UHFFFAOYSA-N
XLogP4.81
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Aminoquinazoline 27
CID 135399743
2-Aminoquinazoline 26
CID 135402987
2-(4-(Benzylamino)quinazolin-2-yl)phenol
CID 915456
ZM 323881 hydrochloride
CID 22624897
N-(3-methoxyphenyl)quinazolin-4-amine
CID 712193
3-({7-Aminopyrido[4,3-d]pyrimidin-4-yl}amino)phenol
CID 5328072
7-methoxy-N-phenylquinazolin-4-amine
CID 5328190
5-((7-(Benzyloxy)quinazolin-4-yl)amino)-4-fluoro-2-methylphenol
CID 16759369
4-Methyl-3-{[6-(pyridin-3-yl)quinolin-4-yl]amino}phenol
CID 25023830
Tilfrinib
CID 76332983
2-Aminoquinazoline 24
CID 135402985
2-[(2,3-Dimethylphenyl)amino]-4-methylquinolin-5-ol
CID 135521448

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[4-(dimethylamino)phenyl]quinazolin-4-yl]amino]phenol?
The IUPAC name of 3-[[6-[4-(dimethylamino)phenyl]quinazolin-4-yl]amino]phenol (CID 71610588) is 3-[[6-[4-(dimethylamino)phenyl]quinazolin-4-yl]amino]phenol.
What is the SMILES notation for 3-[[6-[4-(dimethylamino)phenyl]quinazolin-4-yl]amino]phenol?
The canonical SMILES for 3-[[6-[4-(dimethylamino)phenyl]quinazolin-4-yl]amino]phenol is CN(C)c1ccc(-c2ccc3ncnc(Nc4cccc(O)c4)c3c2)cc1.
What is the InChIKey of 3-[[6-[4-(dimethylamino)phenyl]quinazolin-4-yl]amino]phenol?
The InChIKey is QTSVTHYYVYDIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-26(2)18-9-6-15(7-10-18)16-8-11-21-20(12-16)22(24-14-23-21)25-17-4-3-5-19(27)13-17/h3-14,27H,1-2H3,(H,23,24,25).
What are the key properties of 3-[[6-[4-(dimethylamino)phenyl]quinazolin-4-yl]amino]phenol?
3-[[6-[4-(dimethylamino)phenyl]quinazolin-4-yl]amino]phenol has a molecular weight of 356.43 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[4-(dimethylamino)phenyl]quinazolin-4-yl]amino]phenol is sourced from PubChem (CID 71610588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).