4-(azocan-1-yl)-N-(3-pyrrolidin-1-ylpropyl)quinazolin-2-amine

C22H33N5 — CID 66902985

IUPAC4-(azocan-1-yl)-N-(3-pyrrolidin-1-ylpropyl)quinazolin-2-amine
SMILESc1ccc2c(N3CCCCCCC3)nc(NCCCN3CCCC3)nc2c1
InChIInChI=1S/C22H33N5/c1-2-6-17-27(18-7-3-1)21-19-11-4-5-12-20(19)24-22(25-21)23-13-10-16-26-14-8-9-15-26/h4-5,11-12H,1-3,6-10,13-18H2,(H,23,24,25)
InChIKeyLWJNHLOPGZYURW-UHFFFAOYSA-N
MW367.54 g/mol
LogP4.30
Rot. Bonds6

About 4-(azocan-1-yl)-N-(3-pyrrolidin-1-ylpropyl)quinazolin-2-amine

4-(azocan-1-yl)-N-(3-pyrrolidin-1-ylpropyl)quinazolin-2-amine (PubChem CID 66902985) has the molecular formula C22H33N5 and a molecular weight of 367.54 g/mol. Its IUPAC name is 4-(azocan-1-yl)-N-(3-pyrrolidin-1-ylpropyl)quinazolin-2-amine.

Molecular Properties

Compound Name4-(azocan-1-yl)-N-(3-pyrrolidin-1-ylpropyl)quinazolin-2-amine
PubChem CID66902985
Molecular FormulaC22H33N5
Molecular Weight367.54 g/mol
Exact Mass367.27
IUPAC Name4-(azocan-1-yl)-N-(3-pyrrolidin-1-ylpropyl)quinazolin-2-amine
SMILESc1ccc2c(N3CCCCCCC3)nc(NCCCN3CCCC3)nc2c1
InChIInChI=1S/C22H33N5/c1-2-6-17-27(18-7-3-1)21-19-11-4-5-12-20(19)24-22(25-21)23-13-10-16-26-14-8-9-15-26/h4-5,11-12H,1-3,6-10,13-18H2,(H,23,24,25)
InChIKeyLWJNHLOPGZYURW-UHFFFAOYSA-N
XLogP4.30
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(azepan-1-yl)-N-(3-pyrrolidin-1-ylpropyl)quinazolin-2-amine
CID 66903021
3-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]propan-1-ol
CID 50947927
4-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(2-piperidin-1-ylethyl)quinazolin-2-amine
CID 66903127
N',N'-dimethyl-N-(4-piperidin-1-ylquinazolin-2-yl)ethane-1,2-diamine
CID 66903519
2-[2-[[4-(azocan-1-yl)quinazolin-2-yl]amino]ethyl-(2-hydroxyethyl)amino]ethanol
CID 66903579
2-N,4-N-bis(2-piperidin-1-ylethyl)quinazoline-2,4-diamine
CID 66904247
4-N-(3,5-dichlorophenyl)-2-N-(3-piperidin-1-ylpropyl)quinazoline-2,4-diamine
CID 12703339
2-methyl-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 10859009
2-chloro-N-(3-pyrrolidin-1-ylpropyl)quinazolin-4-amine
CID 12703170
N-[3-[4-[3-(acridin-9-ylamino)propyl]piperazin-1-yl]propyl]acridin-9-amine;dihydrochloride
CID 21144905
N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
CID 60667125
N-(2-piperidin-1-ylethyl)acridin-9-amine
CID 4976664

Frequently Asked Questions

What is the IUPAC name of 4-(azocan-1-yl)-N-(3-pyrrolidin-1-ylpropyl)quinazolin-2-amine?
The IUPAC name of 4-(azocan-1-yl)-N-(3-pyrrolidin-1-ylpropyl)quinazolin-2-amine (CID 66902985) is 4-(azocan-1-yl)-N-(3-pyrrolidin-1-ylpropyl)quinazolin-2-amine.
What is the SMILES notation for 4-(azocan-1-yl)-N-(3-pyrrolidin-1-ylpropyl)quinazolin-2-amine?
The canonical SMILES for 4-(azocan-1-yl)-N-(3-pyrrolidin-1-ylpropyl)quinazolin-2-amine is c1ccc2c(N3CCCCCCC3)nc(NCCCN3CCCC3)nc2c1.
What is the InChIKey of 4-(azocan-1-yl)-N-(3-pyrrolidin-1-ylpropyl)quinazolin-2-amine?
The InChIKey is LWJNHLOPGZYURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5/c1-2-6-17-27(18-7-3-1)21-19-11-4-5-12-20(19)24-22(25-21)23-13-10-16-26-14-8-9-15-26/h4-5,11-12H,1-3,6-10,13-18H2,(H,23,24,25).
What are the key properties of 4-(azocan-1-yl)-N-(3-pyrrolidin-1-ylpropyl)quinazolin-2-amine?
4-(azocan-1-yl)-N-(3-pyrrolidin-1-ylpropyl)quinazolin-2-amine has a molecular weight of 367.54 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azocan-1-yl)-N-(3-pyrrolidin-1-ylpropyl)quinazolin-2-amine is sourced from PubChem (CID 66902985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).