6-(5-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine

C24H29N5O2 — CID 130446894

IUPAC6-(5-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
SMILESCOc1cncc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)c1
InChIInChI=1S/C24H29N5O2/c1-30-21-12-18(14-25-15-21)17-2-7-23-22(13-17)24(27-16-26-23)28-19-3-5-20(6-4-19)29-8-10-31-11-9-29/h2,7,12-16,19-20H,3-6,8-11H2,1H3,(H,26,27,28)
InChIKeyQTXUHWBXFWBBQL-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.76
Rot. Bonds5

About 6-(5-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine

6-(5-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine (PubChem CID 130446894) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 6-(5-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(5-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
PubChem CID130446894
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name6-(5-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
SMILESCOc1cncc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)c1
InChIInChI=1S/C24H29N5O2/c1-30-21-12-18(14-25-15-21)17-2-7-23-22(13-17)24(27-16-26-23)28-19-3-5-20(6-4-19)29-8-10-31-11-9-29/h2,7,12-16,19-20H,3-6,8-11H2,1H3,(H,26,27,28)
InChIKeyQTXUHWBXFWBBQL-UHFFFAOYSA-N
XLogP3.76
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The IUPAC name of 6-(5-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine (CID 130446894) is 6-(5-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine.
What is the SMILES notation for 6-(5-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The canonical SMILES for 6-(5-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine is COc1cncc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)c1.
What is the InChIKey of 6-(5-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The InChIKey is QTXUHWBXFWBBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-30-21-12-18(14-25-15-21)17-2-7-23-22(13-17)24(27-16-26-23)28-19-3-5-20(6-4-19)29-8-10-31-11-9-29/h2,7,12-16,19-20H,3-6,8-11H2,1H3,(H,26,27,28).
What are the key properties of 6-(5-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
6-(5-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine has a molecular weight of 419.53 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine is sourced from PubChem (CID 130446894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).