5-[4-[[4-[cyclopropyl(methyl)amino]cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol

C23H27N5O — CID 121266088

IUPAC5-[4-[[4-[cyclopropyl(methyl)amino]cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol
SMILESCN(C1CCC(Nc2ncnc3ccc(-c4cncc(O)c4)cc23)CC1)C1CC1
InChIInChI=1S/C23H27N5O/c1-28(19-7-8-19)18-5-3-17(4-6-18)27-23-21-11-15(2-9-22(21)25-14-26-23)16-10-20(29)13-24-12-16/h2,9-14,17-19,29H,3-8H2,1H3,(H,25,26,27)
InChIKeyBVWXVHORCQCTMT-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.21
Rot. Bonds5

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

5-[4-[[4-[cyclopropyl(methyl)amino]cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol (PubChem CID 121266088) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 5-[4-[[4-[cyclopropyl(methyl)amino]cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[4-[[4-[cyclopropyl(methyl)amino]cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol
PubChem CID121266088
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name5-[4-[[4-[cyclopropyl(methyl)amino]cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol
SMILESCN(C1CCC(Nc2ncnc3ccc(-c4cncc(O)c4)cc23)CC1)C1CC1
InChIInChI=1S/C23H27N5O/c1-28(19-7-8-19)18-5-3-17(4-6-18)27-23-21-11-15(2-9-22(21)25-14-26-23)16-10-20(29)13-24-12-16/h2,9-14,17-19,29H,3-8H2,1H3,(H,25,26,27)
InChIKeyBVWXVHORCQCTMT-UHFFFAOYSA-N
XLogP4.21
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[4-[cyclopropyl(methyl)amino]cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol?
The IUPAC name of 5-[4-[[4-[cyclopropyl(methyl)amino]cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol (CID 121266088) is 5-[4-[[4-[cyclopropyl(methyl)amino]cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol.
What is the SMILES notation for 5-[4-[[4-[cyclopropyl(methyl)amino]cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol?
The canonical SMILES for 5-[4-[[4-[cyclopropyl(methyl)amino]cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol is CN(C1CCC(Nc2ncnc3ccc(-c4cncc(O)c4)cc23)CC1)C1CC1.
What is the InChIKey of 5-[4-[[4-[cyclopropyl(methyl)amino]cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol?
The InChIKey is BVWXVHORCQCTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-28(19-7-8-19)18-5-3-17(4-6-18)27-23-21-11-15(2-9-22(21)25-14-26-23)16-10-20(29)13-24-12-16/h2,9-14,17-19,29H,3-8H2,1H3,(H,25,26,27).
What are the key properties of 5-[4-[[4-[cyclopropyl(methyl)amino]cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol?
5-[4-[[4-[cyclopropyl(methyl)amino]cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol has a molecular weight of 389.50 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[4-[cyclopropyl(methyl)amino]cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol is sourced from PubChem (CID 121266088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).