N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-amine

C27H35N5O2 — CID 53315437

IUPACN-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-amine
SMILESCOc1cc2nc(N3CCCCC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
InChIInChI=1S/C27H35N5O2/c1-33-24-17-22-23(18-25(24)34-2)29-27(32-13-7-4-8-14-32)30-26(22)28-21-11-15-31(16-12-21)19-20-9-5-3-6-10-20/h3,5-6,9-10,17-18,21H,4,7-8,11-16,19H2,1-2H3,(H,28,29,30)
InChIKeySRRRFZBOHFCCKT-UHFFFAOYSA-N
MW461.61 g/mol
LogP4.71
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-amine

N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-amine (PubChem CID 53315437) has the molecular formula C27H35N5O2 and a molecular weight of 461.61 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-amine
PubChem CID53315437
Molecular FormulaC27H35N5O2
Molecular Weight461.61 g/mol
Exact Mass461.28
IUPAC NameN-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-amine
SMILESCOc1cc2nc(N3CCCCC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
InChIInChI=1S/C27H35N5O2/c1-33-24-17-22-23(18-25(24)34-2)29-27(32-13-7-4-8-14-32)30-26(22)28-21-11-15-31(16-12-21)19-20-9-5-3-6-10-20/h3,5-6,9-10,17-18,21H,4,7-8,11-16,19H2,1-2H3,(H,28,29,30)
InChIKeySRRRFZBOHFCCKT-UHFFFAOYSA-N
XLogP4.71
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 54.71
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-piperidin-1-ylquinazolin-4-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-amine (CID 53315437) is N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-amine is COc1cc2nc(N3CCCCC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-amine?
The InChIKey is SRRRFZBOHFCCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O2/c1-33-24-17-22-23(18-25(24)34-2)29-27(32-13-7-4-8-14-32)30-26(22)28-21-11-15-31(16-12-21)19-20-9-5-3-6-10-20/h3,5-6,9-10,17-18,21H,4,7-8,11-16,19H2,1-2H3,(H,28,29,30).
What are the key properties of N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-amine?
N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-amine has a molecular weight of 461.61 g/mol, XLogP of 4.71, 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-piperidin-1-ylquinazolin-4-amine is sourced from PubChem (CID 53315437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).