2-[4-[4-(propylamino)quinazolin-2-yl]piperazin-1-yl]ethanol

C17H25N5O — CID 91966252

IUPAC2-[4-[4-(propylamino)quinazolin-2-yl]piperazin-1-yl]ethanol
SMILESCCCNc1nc(N2CCN(CCO)CC2)nc2ccccc12
InChIInChI=1S/C17H25N5O/c1-2-7-18-16-14-5-3-4-6-15(14)19-17(20-16)22-10-8-21(9-11-22)12-13-23/h3-6,23H,2,7-13H2,1H3,(H,18,19,20)
InChIKeyTYLZAPYBIGOGQP-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.57
Rot. Bonds6

About 2-[4-[4-(propylamino)quinazolin-2-yl]piperazin-1-yl]ethanol

2-[4-[4-(propylamino)quinazolin-2-yl]piperazin-1-yl]ethanol (PubChem CID 91966252) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[4-[4-(propylamino)quinazolin-2-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-(propylamino)quinazolin-2-yl]piperazin-1-yl]ethanol
PubChem CID91966252
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name2-[4-[4-(propylamino)quinazolin-2-yl]piperazin-1-yl]ethanol
SMILESCCCNc1nc(N2CCN(CCO)CC2)nc2ccccc12
InChIInChI=1S/C17H25N5O/c1-2-7-18-16-14-5-3-4-6-15(14)19-17(20-16)22-10-8-21(9-11-22)12-13-23/h3-6,23H,2,7-13H2,1H3,(H,18,19,20)
InChIKeyTYLZAPYBIGOGQP-UHFFFAOYSA-N
XLogP1.57
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol
CID 2229253
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-propylquinazolin-4-amine
CID 91966246
3-[[2-(4-phenylpiperazin-1-yl)quinazolin-4-yl]amino]propan-1-ol
CID 50947946
N-benzyl-2-(4-ethylpiperazin-1-yl)quinazolin-4-amine
CID 2976210
2-[4-[6-(propylamino)-2-pyridinyl]piperazin-1-yl]ethanol
CID 80779096
3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]amino]propan-1-ol
CID 50945732
2-[[2-(4-benzylpiperazin-1-yl)quinazolin-4-yl]amino]butan-1-ol
CID 91964161
2-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)quinazolin-4-amine
CID 71690658
N-benzyl-2-(4-ethylsulfonylpiperazin-1-yl)quinazolin-4-amine
CID 25144317
2-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine
CID 25178130
N-(3-methoxypropyl)-2-morpholin-4-ylquinazolin-4-amine
CID 91963759
2-[4-(2-hydrazinylquinazolin-4-yl)piperazin-1-yl]ethanol
CID 80898065

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(propylamino)quinazolin-2-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[4-(propylamino)quinazolin-2-yl]piperazin-1-yl]ethanol (CID 91966252) is 2-[4-[4-(propylamino)quinazolin-2-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-(propylamino)quinazolin-2-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-(propylamino)quinazolin-2-yl]piperazin-1-yl]ethanol is CCCNc1nc(N2CCN(CCO)CC2)nc2ccccc12.
What is the InChIKey of 2-[4-[4-(propylamino)quinazolin-2-yl]piperazin-1-yl]ethanol?
The InChIKey is TYLZAPYBIGOGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-2-7-18-16-14-5-3-4-6-15(14)19-17(20-16)22-10-8-21(9-11-22)12-13-23/h3-6,23H,2,7-13H2,1H3,(H,18,19,20).
What are the key properties of 2-[4-[4-(propylamino)quinazolin-2-yl]piperazin-1-yl]ethanol?
2-[4-[4-(propylamino)quinazolin-2-yl]piperazin-1-yl]ethanol has a molecular weight of 315.42 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(propylamino)quinazolin-2-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 91966252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).