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

C23H29N5O — CID 122187393

IUPAC2-[4-[4-(4-propan-2-ylanilino)quinazolin-2-yl]piperazin-1-yl]ethanol
SMILESCC(C)c1ccc(Nc2nc(N3CCN(CCO)CC3)nc3ccccc23)cc1
InChIInChI=1S/C23H29N5O/c1-17(2)18-7-9-19(10-8-18)24-22-20-5-3-4-6-21(20)25-23(26-22)28-13-11-27(12-14-28)15-16-29/h3-10,17,29H,11-16H2,1-2H3,(H,24,25,26)
InChIKeyMRPSJMYYRAZZKV-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.61
Rot. Bonds6

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

2-[4-[4-(4-propan-2-ylanilino)quinazolin-2-yl]piperazin-1-yl]ethanol (PubChem CID 122187393) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-[4-[4-(4-propan-2-ylanilino)quinazolin-2-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-(4-propan-2-ylanilino)quinazolin-2-yl]piperazin-1-yl]ethanol
PubChem CID122187393
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name2-[4-[4-(4-propan-2-ylanilino)quinazolin-2-yl]piperazin-1-yl]ethanol
SMILESCC(C)c1ccc(Nc2nc(N3CCN(CCO)CC3)nc3ccccc23)cc1
InChIInChI=1S/C23H29N5O/c1-17(2)18-7-9-19(10-8-18)24-22-20-5-3-4-6-21(20)25-23(26-22)28-13-11-27(12-14-28)15-16-29/h3-10,17,29H,11-16H2,1-2H3,(H,24,25,26)
InChIKeyMRPSJMYYRAZZKV-UHFFFAOYSA-N
XLogP3.61
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-propan-2-ylanilino)quinazolin-2-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[4-(4-propan-2-ylanilino)quinazolin-2-yl]piperazin-1-yl]ethanol (CID 122187393) is 2-[4-[4-(4-propan-2-ylanilino)quinazolin-2-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-(4-propan-2-ylanilino)quinazolin-2-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-(4-propan-2-ylanilino)quinazolin-2-yl]piperazin-1-yl]ethanol is CC(C)c1ccc(Nc2nc(N3CCN(CCO)CC3)nc3ccccc23)cc1.
What is the InChIKey of 2-[4-[4-(4-propan-2-ylanilino)quinazolin-2-yl]piperazin-1-yl]ethanol?
The InChIKey is MRPSJMYYRAZZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-17(2)18-7-9-19(10-8-18)24-22-20-5-3-4-6-21(20)25-23(26-22)28-13-11-27(12-14-28)15-16-29/h3-10,17,29H,11-16H2,1-2H3,(H,24,25,26).
What are the key properties of 2-[4-[4-(4-propan-2-ylanilino)quinazolin-2-yl]piperazin-1-yl]ethanol?
2-[4-[4-(4-propan-2-ylanilino)quinazolin-2-yl]piperazin-1-yl]ethanol has a molecular weight of 391.52 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-propan-2-ylanilino)quinazolin-2-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 122187393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).