2-[4-(2-methoxy-5-methylanilino)quinazolin-2-yl]phenol

C22H19N3O2 — CID 1395085

IUPAC2-[4-(2-methoxy-5-methylanilino)quinazolin-2-yl]phenol
SMILESCOc1ccc(C)cc1Nc1nc(-c2ccccc2O)nc2ccccc12
InChIInChI=1S/C22H19N3O2/c1-14-11-12-20(27-2)18(13-14)24-21-15-7-3-5-9-17(15)23-22(25-21)16-8-4-6-10-19(16)26/h3-13,26H,1-2H3,(H,23,24,25)
InChIKeyHWDYBGKZMUDUKN-UHFFFAOYSA-N
MW357.41 g/mol
LogP5.06
Rot. Bonds4

About 2-[4-(2-methoxy-5-methylanilino)quinazolin-2-yl]phenol

2-[4-(2-methoxy-5-methylanilino)quinazolin-2-yl]phenol (PubChem CID 1395085) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[4-(2-methoxy-5-methylanilino)quinazolin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(2-methoxy-5-methylanilino)quinazolin-2-yl]phenol
PubChem CID1395085
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name2-[4-(2-methoxy-5-methylanilino)quinazolin-2-yl]phenol
SMILESCOc1ccc(C)cc1Nc1nc(-c2ccccc2O)nc2ccccc12
InChIInChI=1S/C22H19N3O2/c1-14-11-12-20(27-2)18(13-14)24-21-15-7-3-5-9-17(15)23-22(25-21)16-8-4-6-10-19(16)26/h3-13,26H,1-2H3,(H,23,24,25)
InChIKeyHWDYBGKZMUDUKN-UHFFFAOYSA-N
XLogP5.06
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.41
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CP-31398
CID 9950868
2-(4-(Benzylamino)quinazolin-2-yl)phenol
CID 915456
ZM 323881 hydrochloride
CID 22624897
N~4~-benzyl-N~2~-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 1330474
4-{[4-(Benzyloxy)phenyl]amino}quinazolin-6-ol
CID 5329481
5-((7-(Benzyloxy)quinazolin-4-yl)amino)-4-fluoro-2-methylphenol
CID 16759369
2-[4-(2-Ethoxyphenoxy)quinazolin-1-ium-2-yl]phenolate
CID 1389134
2-[4-(2-Methoxy-4-methylphenoxy)quinazolin-1-ium-2-yl]phenolate
CID 1398255
2-[4-(3-Methoxyphenoxy)quinazolin-1-ium-2-yl]phenolate
CID 1399461
4-[(2-Phenyl-4-quinazolinyl)amino]phenol
CID 693198
2-[4-(Propan-2-yloxy)quinazolin-2-yl]phenol
CID 659553
N-(2-methoxyphenyl)quinazolin-4-amine
CID 714435

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxy-5-methylanilino)quinazolin-2-yl]phenol?
The IUPAC name of 2-[4-(2-methoxy-5-methylanilino)quinazolin-2-yl]phenol (CID 1395085) is 2-[4-(2-methoxy-5-methylanilino)quinazolin-2-yl]phenol.
What is the SMILES notation for 2-[4-(2-methoxy-5-methylanilino)quinazolin-2-yl]phenol?
The canonical SMILES for 2-[4-(2-methoxy-5-methylanilino)quinazolin-2-yl]phenol is COc1ccc(C)cc1Nc1nc(-c2ccccc2O)nc2ccccc12.
What is the InChIKey of 2-[4-(2-methoxy-5-methylanilino)quinazolin-2-yl]phenol?
The InChIKey is HWDYBGKZMUDUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-14-11-12-20(27-2)18(13-14)24-21-15-7-3-5-9-17(15)23-22(25-21)16-8-4-6-10-19(16)26/h3-13,26H,1-2H3,(H,23,24,25).
What are the key properties of 2-[4-(2-methoxy-5-methylanilino)quinazolin-2-yl]phenol?
2-[4-(2-methoxy-5-methylanilino)quinazolin-2-yl]phenol has a molecular weight of 357.41 g/mol, XLogP of 5.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxy-5-methylanilino)quinazolin-2-yl]phenol is sourced from PubChem (CID 1395085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).