5-[4-[[4-(4-methylpiperazin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol

C24H30N6O — CID 130446929

IUPAC5-[4-[[4-(4-methylpiperazin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol
SMILESCN1CCN(C2CCC(Nc3ncnc4ccc(-c5cncc(O)c5)cc34)CC2)CC1
InChIInChI=1S/C24H30N6O/c1-29-8-10-30(11-9-29)20-5-3-19(4-6-20)28-24-22-13-17(2-7-23(22)26-16-27-24)18-12-21(31)15-25-14-18/h2,7,12-16,19-20,31H,3-6,8-11H2,1H3,(H,26,27,28)
InChIKeySRAZUQWIUMTCKQ-UHFFFAOYSA-N
MW418.55 g/mol
LogP3.37
Rot. Bonds4

About 5-[4-[[4-(4-methylpiperazin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol

5-[4-[[4-(4-methylpiperazin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol (PubChem CID 130446929) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is 5-[4-[[4-(4-methylpiperazin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[4-[[4-(4-methylpiperazin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol
PubChem CID130446929
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC Name5-[4-[[4-(4-methylpiperazin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol
SMILESCN1CCN(C2CCC(Nc3ncnc4ccc(-c5cncc(O)c5)cc34)CC2)CC1
InChIInChI=1S/C24H30N6O/c1-29-8-10-30(11-9-29)20-5-3-19(4-6-20)28-24-22-13-17(2-7-23(22)26-16-27-24)18-12-21(31)15-25-14-18/h2,7,12-16,19-20,31H,3-6,8-11H2,1H3,(H,26,27,28)
InChIKeySRAZUQWIUMTCKQ-UHFFFAOYSA-N
XLogP3.37
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[4-(4-methylpiperazin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol?
The IUPAC name of 5-[4-[[4-(4-methylpiperazin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol (CID 130446929) is 5-[4-[[4-(4-methylpiperazin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol.
What is the SMILES notation for 5-[4-[[4-(4-methylpiperazin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol?
The canonical SMILES for 5-[4-[[4-(4-methylpiperazin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol is CN1CCN(C2CCC(Nc3ncnc4ccc(-c5cncc(O)c5)cc34)CC2)CC1.
What is the InChIKey of 5-[4-[[4-(4-methylpiperazin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol?
The InChIKey is SRAZUQWIUMTCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-29-8-10-30(11-9-29)20-5-3-19(4-6-20)28-24-22-13-17(2-7-23(22)26-16-27-24)18-12-21(31)15-25-14-18/h2,7,12-16,19-20,31H,3-6,8-11H2,1H3,(H,26,27,28).
What are the key properties of 5-[4-[[4-(4-methylpiperazin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol?
5-[4-[[4-(4-methylpiperazin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol has a molecular weight of 418.55 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[4-(4-methylpiperazin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol is sourced from PubChem (CID 130446929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).