3-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]propan-1-ol

C15H20N4O — CID 50947927

IUPAC3-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]propan-1-ol
SMILESOCCCNc1nc(N2CCCC2)c2ccccc2n1
InChIInChI=1S/C15H20N4O/c20-11-5-8-16-15-17-13-7-2-1-6-12(13)14(18-15)19-9-3-4-10-19/h1-2,6-7,20H,3-5,8-11H2,(H,16,17,18)
InChIKeyLZPAJHGHDQSCJI-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.02
Rot. Bonds5

About 3-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]propan-1-ol

3-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]propan-1-ol (PubChem CID 50947927) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]propan-1-ol
PubChem CID50947927
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]propan-1-ol
SMILESOCCCNc1nc(N2CCCC2)c2ccccc2n1
InChIInChI=1S/C15H20N4O/c20-11-5-8-16-15-17-13-7-2-1-6-12(13)14(18-15)19-9-3-4-10-19/h1-2,6-7,20H,3-5,8-11H2,(H,16,17,18)
InChIKeyLZPAJHGHDQSCJI-UHFFFAOYSA-N
XLogP2.02
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
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
4-(azocan-1-yl)-N-(3-pyrrolidin-1-ylpropyl)quinazolin-2-amine
CID 66902985
2-[2-[[4-(azocan-1-yl)quinazolin-2-yl]amino]ethyl-(2-hydroxyethyl)amino]ethanol
CID 66903579
N',N'-dimethyl-N-(4-piperidin-1-ylquinazolin-2-yl)ethane-1,2-diamine
CID 66903519
4-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(2-piperidin-1-ylethyl)quinazolin-2-amine
CID 66903127
2-[2-[[4-(3-azabicyclo[3.2.2]nonan-3-yl)quinazolin-2-yl]amino]ethyl-(2-hydroxyethyl)amino]ethanol
CID 59383866
N'-(4-pyrrolidin-1-ylquinazolin-2-yl)ethene-1,2-diamine
CID 174050834
2-[4-(2-hydrazinylquinazolin-4-yl)piperazin-1-yl]ethanol
CID 80898065
(4-pyrrolidin-1-ylquinazolin-2-yl)methanamine
CID 68905950
N-[4-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]phenyl]acetamide
CID 50946172
4-pyrrolidin-1-ylquinazolin-2-amine
CID 57342786
3-[[2-(4-phenylpiperazin-1-yl)quinazolin-4-yl]amino]propan-1-ol
CID 50947946

Frequently Asked Questions

What is the IUPAC name of 3-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]propan-1-ol?
The IUPAC name of 3-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]propan-1-ol (CID 50947927) is 3-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]propan-1-ol is OCCCNc1nc(N2CCCC2)c2ccccc2n1.
What is the InChIKey of 3-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]propan-1-ol?
The InChIKey is LZPAJHGHDQSCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c20-11-5-8-16-15-17-13-7-2-1-6-12(13)14(18-15)19-9-3-4-10-19/h1-2,6-7,20H,3-5,8-11H2,(H,16,17,18).
What are the key properties of 3-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]propan-1-ol?
3-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]propan-1-ol has a molecular weight of 272.35 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]propan-1-ol is sourced from PubChem (CID 50947927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).