(2-chloroquinazolin-4-yl)-(4-methoxyphenyl)methanamine;hydrochloride

C16H15Cl2N3O — CID 87276665

IUPAC(2-chloroquinazolin-4-yl)-(4-methoxyphenyl)methanamine;hydrochloride
SMILESCOc1ccc(C(N)c2nc(Cl)nc3ccccc23)cc1.Cl
InChIInChI=1S/C16H14ClN3O.ClH/c1-21-11-8-6-10(7-9-11)14(18)15-12-4-2-3-5-13(12)19-16(17)20-15;/h2-9,14H,18H2,1H3;1H
InChIKeyVJCYRCHRRSCLFV-UHFFFAOYSA-N
MW336.22 g/mol
LogP3.76
Rot. Bonds3

About (2-chloroquinazolin-4-yl)-(4-methoxyphenyl)methanamine;hydrochloride

(2-chloroquinazolin-4-yl)-(4-methoxyphenyl)methanamine;hydrochloride (PubChem CID 87276665) has the molecular formula C16H15Cl2N3O and a molecular weight of 336.22 g/mol. Its IUPAC name is (2-chloroquinazolin-4-yl)-(4-methoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2-chloroquinazolin-4-yl)-(4-methoxyphenyl)methanamine;hydrochloride
PubChem CID87276665
Molecular FormulaC16H15Cl2N3O
Molecular Weight336.22 g/mol
Exact Mass335.06
IUPAC Name(2-chloroquinazolin-4-yl)-(4-methoxyphenyl)methanamine;hydrochloride
SMILESCOc1ccc(C(N)c2nc(Cl)nc3ccccc23)cc1.Cl
InChIInChI=1S/C16H14ClN3O.ClH/c1-21-11-8-6-10(7-9-11)14(18)15-12-4-2-3-5-13(12)19-16(17)20-15;/h2-9,14H,18H2,1H3;1H
InChIKeyVJCYRCHRRSCLFV-UHFFFAOYSA-N
XLogP3.76
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chloroquinazolin-4-yl)-(3,4-dimethoxyphenyl)methanamine
CID 87482327
(4-methoxyphenyl)-(2-phenylquinazolin-4-yl)methanamine
CID 68516638
1,2,3-benzotriazin-4-yl-(4-methoxyphenyl)methanamine
CID 68775417
2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]quinazolin-4-amine
CID 175678331
[2-(chloromethyl)quinazolin-4-yl]-(4-methoxyphenyl)methanamine;N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine
CID 68517339
(4-ethylphenyl)-(2-methylquinazolin-4-yl)methanamine
CID 68514561
4-[1-(4-methoxyphenyl)ethyl]-2-methylquinoline
CID 123434354
4-[amino-(4-methoxyphenyl)methyl]-2-methylquinazolin-7-amine
CID 68515654
4-[amino-(4-methoxyphenyl)methyl]phenol;hydrochloride
CID 69080735
(2-methylquinazolin-4-yl)-(4-methylsulfanylphenyl)methanamine
CID 67337970
[6-bromo-2-(chloromethyl)quinazolin-4-yl]-(4-methoxyphenyl)methanamine
CID 68518223
(6,7-dimethoxy-3-methylisoquinolin-1-yl)-(4-methoxyphenyl)methanamine;dihydrochloride
CID 21127507

Frequently Asked Questions

What is the IUPAC name of (2-chloroquinazolin-4-yl)-(4-methoxyphenyl)methanamine;hydrochloride?
The IUPAC name of (2-chloroquinazolin-4-yl)-(4-methoxyphenyl)methanamine;hydrochloride (CID 87276665) is (2-chloroquinazolin-4-yl)-(4-methoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for (2-chloroquinazolin-4-yl)-(4-methoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for (2-chloroquinazolin-4-yl)-(4-methoxyphenyl)methanamine;hydrochloride is COc1ccc(C(N)c2nc(Cl)nc3ccccc23)cc1.Cl.
What is the InChIKey of (2-chloroquinazolin-4-yl)-(4-methoxyphenyl)methanamine;hydrochloride?
The InChIKey is VJCYRCHRRSCLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O.ClH/c1-21-11-8-6-10(7-9-11)14(18)15-12-4-2-3-5-13(12)19-16(17)20-15;/h2-9,14H,18H2,1H3;1H.
What are the key properties of (2-chloroquinazolin-4-yl)-(4-methoxyphenyl)methanamine;hydrochloride?
(2-chloroquinazolin-4-yl)-(4-methoxyphenyl)methanamine;hydrochloride has a molecular weight of 336.22 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloroquinazolin-4-yl)-(4-methoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 87276665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).