N-(1-benzylpiperidin-4-yl)-6,7-dimethoxyquinazolin-4-amine

C22H26N4O2 — CID 2808856

IUPACN-(1-benzylpiperidin-4-yl)-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
InChIInChI=1S/C22H26N4O2/c1-27-20-12-18-19(13-21(20)28-2)23-15-24-22(18)25-17-8-10-26(11-9-17)14-16-6-4-3-5-7-16/h3-7,12-13,15,17H,8-11,14H2,1-2H3,(H,23,24,25)
InChIKeyQGLMINHDDNFQAQ-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.72
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-6,7-dimethoxyquinazolin-4-amine

N-(1-benzylpiperidin-4-yl)-6,7-dimethoxyquinazolin-4-amine (PubChem CID 2808856) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-6,7-dimethoxyquinazolin-4-amine
PubChem CID2808856
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-(1-benzylpiperidin-4-yl)-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
InChIInChI=1S/C22H26N4O2/c1-27-20-12-18-19(13-21(20)28-2)23-15-24-22(18)25-17-8-10-26(11-9-17)14-16-6-4-3-5-7-16/h3-7,12-13,15,17H,8-11,14H2,1-2H3,(H,23,24,25)
InChIKeyQGLMINHDDNFQAQ-UHFFFAOYSA-N
XLogP3.72
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Erlotinib Hydrochloride
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N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine
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PD-153035
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-6,7-dimethoxyquinazolin-4-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-6,7-dimethoxyquinazolin-4-amine (CID 2808856) is N-(1-benzylpiperidin-4-yl)-6,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-6,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-6,7-dimethoxyquinazolin-4-amine is COc1cc2ncnc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-6,7-dimethoxyquinazolin-4-amine?
The InChIKey is QGLMINHDDNFQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-27-20-12-18-19(13-21(20)28-2)23-15-24-22(18)25-17-8-10-26(11-9-17)14-16-6-4-3-5-7-16/h3-7,12-13,15,17H,8-11,14H2,1-2H3,(H,23,24,25).
What are the key properties of N-(1-benzylpiperidin-4-yl)-6,7-dimethoxyquinazolin-4-amine?
N-(1-benzylpiperidin-4-yl)-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 378.48 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 2808856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).