4-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(2-piperidin-1-ylethyl)quinazolin-2-amine

C23H33N5 — CID 66903127

IUPAC4-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(2-piperidin-1-ylethyl)quinazolin-2-amine
SMILESc1ccc2c(N3CC4CCC(CC4)C3)nc(NCCN3CCCCC3)nc2c1
InChIInChI=1S/C23H33N5/c1-4-13-27(14-5-1)15-12-24-23-25-21-7-3-2-6-20(21)22(26-23)28-16-18-8-9-19(17-28)11-10-18/h2-3,6-7,18-19H,1,4-5,8-17H2,(H,24,25,26)
InChIKeyNDKXBKIXCHGEJH-UHFFFAOYSA-N
MW379.55 g/mol
LogP4.15
Rot. Bonds5

About 4-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(2-piperidin-1-ylethyl)quinazolin-2-amine

4-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(2-piperidin-1-ylethyl)quinazolin-2-amine (PubChem CID 66903127) has the molecular formula C23H33N5 and a molecular weight of 379.55 g/mol. Its IUPAC name is 4-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(2-piperidin-1-ylethyl)quinazolin-2-amine.

Molecular Properties

Compound Name4-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(2-piperidin-1-ylethyl)quinazolin-2-amine
PubChem CID66903127
Molecular FormulaC23H33N5
Molecular Weight379.55 g/mol
Exact Mass379.27
IUPAC Name4-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(2-piperidin-1-ylethyl)quinazolin-2-amine
SMILESc1ccc2c(N3CC4CCC(CC4)C3)nc(NCCN3CCCCC3)nc2c1
InChIInChI=1S/C23H33N5/c1-4-13-27(14-5-1)15-12-24-23-25-21-7-3-2-6-20(21)22(26-23)28-16-18-8-9-19(17-28)11-10-18/h2-3,6-7,18-19H,1,4-5,8-17H2,(H,24,25,26)
InChIKeyNDKXBKIXCHGEJH-UHFFFAOYSA-N
XLogP4.15
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(2-piperidin-1-ylethyl)quinazolin-2-amine with MolForge

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Related Compounds

4-(azepan-1-yl)-N-(3-pyrrolidin-1-ylpropyl)quinazolin-2-amine
CID 66903021
4-(azocan-1-yl)-N-(3-pyrrolidin-1-ylpropyl)quinazolin-2-amine
CID 66902985
2-N,4-N-bis(2-piperidin-1-ylethyl)quinazoline-2,4-diamine
CID 66904247
N',N'-dimethyl-N-(4-piperidin-1-ylquinazolin-2-yl)ethane-1,2-diamine
CID 66903519
2-[2-[[4-(3-azabicyclo[3.2.2]nonan-3-yl)quinazolin-2-yl]amino]ethyl-(2-hydroxyethyl)amino]ethanol
CID 59383866
N-(2-piperidin-1-ylethyl)acridin-9-amine
CID 4976664
3-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]propan-1-ol
CID 50947927
2-[2-[[4-(azocan-1-yl)quinazolin-2-yl]amino]ethyl-(2-hydroxyethyl)amino]ethanol
CID 66903579
4-(azepan-1-yl)-N-(1-benzylpiperidin-3-yl)quinazolin-2-amine
CID 77215106
4-N-(4-chlorophenyl)-2-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine;hydrochloride
CID 139925370
2-phenyl-N-(2-piperidin-1-ylethyl)quinazolin-4-amine
CID 66901625
4-(azepan-1-yl)-N-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]quinazolin-2-amine
CID 66904114

Frequently Asked Questions

What is the IUPAC name of 4-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(2-piperidin-1-ylethyl)quinazolin-2-amine?
The IUPAC name of 4-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(2-piperidin-1-ylethyl)quinazolin-2-amine (CID 66903127) is 4-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(2-piperidin-1-ylethyl)quinazolin-2-amine.
What is the SMILES notation for 4-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(2-piperidin-1-ylethyl)quinazolin-2-amine?
The canonical SMILES for 4-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(2-piperidin-1-ylethyl)quinazolin-2-amine is c1ccc2c(N3CC4CCC(CC4)C3)nc(NCCN3CCCCC3)nc2c1.
What is the InChIKey of 4-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(2-piperidin-1-ylethyl)quinazolin-2-amine?
The InChIKey is NDKXBKIXCHGEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5/c1-4-13-27(14-5-1)15-12-24-23-25-21-7-3-2-6-20(21)22(26-23)28-16-18-8-9-19(17-28)11-10-18/h2-3,6-7,18-19H,1,4-5,8-17H2,(H,24,25,26).
What are the key properties of 4-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(2-piperidin-1-ylethyl)quinazolin-2-amine?
4-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(2-piperidin-1-ylethyl)quinazolin-2-amine has a molecular weight of 379.55 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(2-piperidin-1-ylethyl)quinazolin-2-amine is sourced from PubChem (CID 66903127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).