N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methoxypiperidin-1-yl)quinazolin-4-amine

C28H37N5O3 — CID 71738259

IUPACN-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methoxypiperidin-1-yl)quinazolin-4-amine
SMILESCOc1cc2nc(N3CCC(OC)CC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
InChIInChI=1S/C28H37N5O3/c1-34-22-11-15-33(16-12-22)28-30-24-18-26(36-3)25(35-2)17-23(24)27(31-28)29-21-9-13-32(14-10-21)19-20-7-5-4-6-8-20/h4-8,17-18,21-22H,9-16,19H2,1-3H3,(H,29,30,31)
InChIKeyUWSFUQKPYCHAPX-UHFFFAOYSA-N
MW491.64 g/mol
LogP4.34
Rot. Bonds8

About N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methoxypiperidin-1-yl)quinazolin-4-amine

N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methoxypiperidin-1-yl)quinazolin-4-amine (PubChem CID 71738259) has the molecular formula C28H37N5O3 and a molecular weight of 491.64 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methoxypiperidin-1-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methoxypiperidin-1-yl)quinazolin-4-amine
PubChem CID71738259
Molecular FormulaC28H37N5O3
Molecular Weight491.64 g/mol
Exact Mass491.29
IUPAC NameN-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methoxypiperidin-1-yl)quinazolin-4-amine
SMILESCOc1cc2nc(N3CCC(OC)CC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
InChIInChI=1S/C28H37N5O3/c1-34-22-11-15-33(16-12-22)28-30-24-18-26(36-3)25(35-2)17-23(24)27(31-28)29-21-9-13-32(14-10-21)19-20-7-5-4-6-8-20/h4-8,17-18,21-22H,9-16,19H2,1-3H3,(H,29,30,31)
InChIKeyUWSFUQKPYCHAPX-UHFFFAOYSA-N
XLogP4.34
TPSA71.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.64
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methoxypiperidin-1-yl)quinazolin-4-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methoxypiperidin-1-yl)quinazolin-4-amine (CID 71738259) is N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methoxypiperidin-1-yl)quinazolin-4-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methoxypiperidin-1-yl)quinazolin-4-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methoxypiperidin-1-yl)quinazolin-4-amine is COc1cc2nc(N3CCC(OC)CC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methoxypiperidin-1-yl)quinazolin-4-amine?
The InChIKey is UWSFUQKPYCHAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O3/c1-34-22-11-15-33(16-12-22)28-30-24-18-26(36-3)25(35-2)17-23(24)27(31-28)29-21-9-13-32(14-10-21)19-20-7-5-4-6-8-20/h4-8,17-18,21-22H,9-16,19H2,1-3H3,(H,29,30,31).
What are the key properties of N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methoxypiperidin-1-yl)quinazolin-4-amine?
N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methoxypiperidin-1-yl)quinazolin-4-amine has a molecular weight of 491.64 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methoxypiperidin-1-yl)quinazolin-4-amine is sourced from PubChem (CID 71738259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).