6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxylic acid

C24H27N5O3 — CID 121266058

IUPAC6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)n1
InChIInChI=1S/C24H27N5O3/c30-24(31)22-3-1-2-20(28-22)16-4-9-21-19(14-16)23(26-15-25-21)27-17-5-7-18(8-6-17)29-10-12-32-13-11-29/h1-4,9,14-15,17-18H,5-8,10-13H2,(H,30,31)(H,25,26,27)
InChIKeyRRWSDHRXBZNLGM-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.45
Rot. Bonds5

About 6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxylic acid

6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxylic acid (PubChem CID 121266058) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxylic acid
PubChem CID121266058
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)n1
InChIInChI=1S/C24H27N5O3/c30-24(31)22-3-1-2-20(28-22)16-4-9-21-19(14-16)23(26-15-25-21)27-17-5-7-18(8-6-17)29-10-12-32-13-11-29/h1-4,9,14-15,17-18H,5-8,10-13H2,(H,30,31)(H,25,26,27)
InChIKeyRRWSDHRXBZNLGM-UHFFFAOYSA-N
XLogP3.45
TPSA100.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxylic acid (CID 121266058) is 6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)n1.
What is the InChIKey of 6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxylic acid?
The InChIKey is RRWSDHRXBZNLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c30-24(31)22-3-1-2-20(28-22)16-4-9-21-19(14-16)23(26-15-25-21)27-17-5-7-18(8-6-17)29-10-12-32-13-11-29/h1-4,9,14-15,17-18H,5-8,10-13H2,(H,30,31)(H,25,26,27).
What are the key properties of 6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxylic acid?
6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxylic acid has a molecular weight of 433.51 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 121266058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).