N-(1H-indazol-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride

C17H16ClN5O2 — CID 16876701

IUPACN-(1H-indazol-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
SMILESCOc1cc2ncnc(Nc3ccc4cn[nH]c4c3)c2cc1OC.Cl
InChIInChI=1S/C17H15N5O2.ClH/c1-23-15-6-12-14(7-16(15)24-2)18-9-19-17(12)21-11-4-3-10-8-20-22-13(10)5-11;/h3-9H,1-2H3,(H,20,22)(H,18,19,21);1H
InChIKeyNBRKXLUNXKKZQQ-UHFFFAOYSA-N
MW357.80 g/mol
LogP3.69
Rot. Bonds4

About N-(1H-indazol-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride

N-(1H-indazol-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride (PubChem CID 16876701) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
PubChem CID16876701
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC NameN-(1H-indazol-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
SMILESCOc1cc2ncnc(Nc3ccc4cn[nH]c4c3)c2cc1OC.Cl
InChIInChI=1S/C17H15N5O2.ClH/c1-23-15-6-12-14(7-16(15)24-2)18-9-19-17(12)21-11-4-3-10-8-20-22-13(10)5-11;/h3-9H,1-2H3,(H,20,22)(H,18,19,21);1H
InChIKeyNBRKXLUNXKKZQQ-UHFFFAOYSA-N
XLogP3.69
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-(dimethylamino)ethoxy]-N-(1H-indazol-5-yl)-7-methoxyquinazolin-4-amine
CID 141159368
N-(1H-indazol-5-yl)-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 58664274
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 18770778
N-(1H-indol-5-yl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
CID 22030547
N-(1H-indol-5-yl)-6-methoxy-7-methylquinazolin-4-amine
CID 23537228
[4-(1,2-benzoxazol-5-ylamino)-7-methoxyquinazolin-6-yl] acetate
CID 155004316
4-N-(1H-indazol-5-yl)-6,7-dimethoxy-2-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 59066353
N-(3-ethenylphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 24936078
N-(1H-indol-5-yl)-6-iodo-7-methoxyquinazolin-4-amine
CID 15521323
N-(1H-indol-6-yl)-6-methoxy-7-[2-[(2-methyl-4-pyridinyl)amino]ethoxy]quinazolin-4-amine
CID 56985158
N-(1H-indol-6-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 22030892
N-(1H-indol-5-yl)-6-methoxy-7-(3-methylsulfonylpropoxy)quinazolin-4-amine;hydrochloride
CID 22030654

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride?
The IUPAC name of N-(1H-indazol-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride (CID 16876701) is N-(1H-indazol-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride.
What is the SMILES notation for N-(1H-indazol-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride?
The canonical SMILES for N-(1H-indazol-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride is COc1cc2ncnc(Nc3ccc4cn[nH]c4c3)c2cc1OC.Cl.
What is the InChIKey of N-(1H-indazol-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride?
The InChIKey is NBRKXLUNXKKZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2.ClH/c1-23-15-6-12-14(7-16(15)24-2)18-9-19-17(12)21-11-4-3-10-8-20-22-13(10)5-11;/h3-9H,1-2H3,(H,20,22)(H,18,19,21);1H.
What are the key properties of N-(1H-indazol-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride?
N-(1H-indazol-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride has a molecular weight of 357.80 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride is sourced from PubChem (CID 16876701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).