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

C28H37N5O2 — CID 71738181

IUPACN-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methylpiperidin-1-yl)quinazolin-4-amine
SMILESCOc1cc2nc(N3CCC(C)CC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
InChIInChI=1S/C28H37N5O2/c1-20-9-15-33(16-10-20)28-30-24-18-26(35-3)25(34-2)17-23(24)27(31-28)29-22-11-13-32(14-12-22)19-21-7-5-4-6-8-21/h4-8,17-18,20,22H,9-16,19H2,1-3H3,(H,29,30,31)
InChIKeyNNAFTYAPIVWPSX-UHFFFAOYSA-N
MW475.64 g/mol
LogP4.96
Rot. Bonds7

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

N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methylpiperidin-1-yl)quinazolin-4-amine (PubChem CID 71738181) has the molecular formula C28H37N5O2 and a molecular weight of 475.64 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methylpiperidin-1-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methylpiperidin-1-yl)quinazolin-4-amine
PubChem CID71738181
Molecular FormulaC28H37N5O2
Molecular Weight475.64 g/mol
Exact Mass475.29
IUPAC NameN-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methylpiperidin-1-yl)quinazolin-4-amine
SMILESCOc1cc2nc(N3CCC(C)CC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
InChIInChI=1S/C28H37N5O2/c1-20-9-15-33(16-10-20)28-30-24-18-26(35-3)25(34-2)17-23(24)27(31-28)29-22-11-13-32(14-12-22)19-21-7-5-4-6-8-21/h4-8,17-18,20,22H,9-16,19H2,1-3H3,(H,29,30,31)
InChIKeyNNAFTYAPIVWPSX-UHFFFAOYSA-N
XLogP4.96
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.64
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methylpiperidin-1-yl)quinazolin-4-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methylpiperidin-1-yl)quinazolin-4-amine (CID 71738181) is N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methylpiperidin-1-yl)quinazolin-4-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methylpiperidin-1-yl)quinazolin-4-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methylpiperidin-1-yl)quinazolin-4-amine is COc1cc2nc(N3CCC(C)CC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methylpiperidin-1-yl)quinazolin-4-amine?
The InChIKey is NNAFTYAPIVWPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O2/c1-20-9-15-33(16-10-20)28-30-24-18-26(35-3)25(34-2)17-23(24)27(31-28)29-22-11-13-32(14-12-22)19-21-7-5-4-6-8-21/h4-8,17-18,20,22H,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-methylpiperidin-1-yl)quinazolin-4-amine?
N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methylpiperidin-1-yl)quinazolin-4-amine has a molecular weight of 475.64 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methylpiperidin-1-yl)quinazolin-4-amine is sourced from PubChem (CID 71738181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).