N-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine

C18H25N5 — CID 166235366

IUPACN-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine
SMILESCNc1nc(N2CCC(N3CCCC3)CC2)nc2ccccc12
InChIInChI=1S/C18H25N5/c1-19-17-15-6-2-3-7-16(15)20-18(21-17)23-12-8-14(9-13-23)22-10-4-5-11-22/h2-3,6-7,14H,4-5,8-13H2,1H3,(H,19,20,21)
InChIKeyHVTSSWBYBHADMO-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.74
Rot. Bonds3

About N-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine

N-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine (PubChem CID 166235366) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine
PubChem CID166235366
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC NameN-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine
SMILESCNc1nc(N2CCC(N3CCCC3)CC2)nc2ccccc12
InChIInChI=1S/C18H25N5/c1-19-17-15-6-2-3-7-16(15)20-18(21-17)23-12-8-14(9-13-23)22-10-4-5-11-22/h2-3,6-7,14H,4-5,8-13H2,1H3,(H,19,20,21)
InChIKeyHVTSSWBYBHADMO-UHFFFAOYSA-N
XLogP2.74
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine?
The IUPAC name of N-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine (CID 166235366) is N-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine.
What is the SMILES notation for N-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine?
The canonical SMILES for N-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine is CNc1nc(N2CCC(N3CCCC3)CC2)nc2ccccc12.
What is the InChIKey of N-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine?
The InChIKey is HVTSSWBYBHADMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-19-17-15-6-2-3-7-16(15)20-18(21-17)23-12-8-14(9-13-23)22-10-4-5-11-22/h2-3,6-7,14H,4-5,8-13H2,1H3,(H,19,20,21).
What are the key properties of N-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine?
N-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine has a molecular weight of 311.43 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine is sourced from PubChem (CID 166235366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).