4-[(2-chloroquinazolin-4-yl)-methylamino]phenol

C15H12ClN3O — CID 11460340

IUPAC4-[(2-chloroquinazolin-4-yl)-methylamino]phenol
SMILESCN(c1ccc(O)cc1)c1nc(Cl)nc2ccccc12
InChIInChI=1S/C15H12ClN3O/c1-19(10-6-8-11(20)9-7-10)14-12-4-2-3-5-13(12)17-15(16)18-14/h2-9,20H,1H3
InChIKeyAUIIPISVOIPEAT-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.76
Rot. Bonds2

About 4-[(2-chloroquinazolin-4-yl)-methylamino]phenol

4-[(2-chloroquinazolin-4-yl)-methylamino]phenol (PubChem CID 11460340) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 4-[(2-chloroquinazolin-4-yl)-methylamino]phenol.

Molecular Properties

Compound Name4-[(2-chloroquinazolin-4-yl)-methylamino]phenol
PubChem CID11460340
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name4-[(2-chloroquinazolin-4-yl)-methylamino]phenol
SMILESCN(c1ccc(O)cc1)c1nc(Cl)nc2ccccc12
InChIInChI=1S/C15H12ClN3O/c1-19(10-6-8-11(20)9-7-10)14-12-4-2-3-5-13(12)17-15(16)18-14/h2-9,20H,1H3
InChIKeyAUIIPISVOIPEAT-UHFFFAOYSA-N
XLogP3.76
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Verubulin
CID 11414799
2-(4-(Benzylamino)quinazolin-2-yl)phenol
CID 915456
6-methoxy-N-phenylquinazolin-4-amine
CID 5328186
2-{4-[(3s)-Pyrrolidin-3-Ylamino]quinazolin-2-Yl}phenol
CID 135566381
(2-Fluoromethyl-quinazolin-4-yl)-(4-methoxy-phenyl)-methyl-amine
CID 11208709
2-chloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
CID 11738112
2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinazoline
CID 71542890
3-[(2-Phenylquinazolin-4-yl)amino]phenol
CID 693197
4-[(2-Phenyl-4-quinazolinyl)amino]phenol
CID 693198
4-[[2-(2-Fluorophenyl)quinazolin-4-yl]amino]phenol
CID 2174842
2-[4-(1-Pyrrolidinyl)-2-quinazolinyl]phenol
CID 781262
Quinazolin-6-ol
CID 589643

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloroquinazolin-4-yl)-methylamino]phenol?
The IUPAC name of 4-[(2-chloroquinazolin-4-yl)-methylamino]phenol (CID 11460340) is 4-[(2-chloroquinazolin-4-yl)-methylamino]phenol.
What is the SMILES notation for 4-[(2-chloroquinazolin-4-yl)-methylamino]phenol?
The canonical SMILES for 4-[(2-chloroquinazolin-4-yl)-methylamino]phenol is CN(c1ccc(O)cc1)c1nc(Cl)nc2ccccc12.
What is the InChIKey of 4-[(2-chloroquinazolin-4-yl)-methylamino]phenol?
The InChIKey is AUIIPISVOIPEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-19(10-6-8-11(20)9-7-10)14-12-4-2-3-5-13(12)17-15(16)18-14/h2-9,20H,1H3.
What are the key properties of 4-[(2-chloroquinazolin-4-yl)-methylamino]phenol?
4-[(2-chloroquinazolin-4-yl)-methylamino]phenol has a molecular weight of 285.73 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloroquinazolin-4-yl)-methylamino]phenol is sourced from PubChem (CID 11460340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).