2-[6,7-dimethoxy-2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]-N-(4-methylcyclohexyl)acetamide

C24H34N4O5 — CID 30213897

IUPAC2-[6,7-dimethoxy-2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]-N-(4-methylcyclohexyl)acetamide
SMILESCOc1cc2nc(CN3CCOCC3)n(CC(=O)NC3CCC(C)CC3)c(=O)c2cc1OC
InChIInChI=1S/C24H34N4O5/c1-16-4-6-17(7-5-16)25-23(29)15-28-22(14-27-8-10-33-11-9-27)26-19-13-21(32-3)20(31-2)12-18(19)24(28)30/h12-13,16-17H,4-11,14-15H2,1-3H3,(H,25,29)
InChIKeyCGJYWHXNQXRZTQ-UHFFFAOYSA-N
MW458.56 g/mol
LogP1.94
Rot. Bonds7

About 2-[6,7-dimethoxy-2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]-N-(4-methylcyclohexyl)acetamide

2-[6,7-dimethoxy-2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]-N-(4-methylcyclohexyl)acetamide (PubChem CID 30213897) has the molecular formula C24H34N4O5 and a molecular weight of 458.56 g/mol. Its IUPAC name is 2-[6,7-dimethoxy-2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[6,7-dimethoxy-2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]-N-(4-methylcyclohexyl)acetamide
PubChem CID30213897
Molecular FormulaC24H34N4O5
Molecular Weight458.56 g/mol
Exact Mass458.25
IUPAC Name2-[6,7-dimethoxy-2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]-N-(4-methylcyclohexyl)acetamide
SMILESCOc1cc2nc(CN3CCOCC3)n(CC(=O)NC3CCC(C)CC3)c(=O)c2cc1OC
InChIInChI=1S/C24H34N4O5/c1-16-4-6-17(7-5-16)25-23(29)15-28-22(14-27-8-10-33-11-9-27)26-19-13-21(32-3)20(31-2)12-18(19)24(28)30/h12-13,16-17H,4-11,14-15H2,1-3H3,(H,25,29)
InChIKeyCGJYWHXNQXRZTQ-UHFFFAOYSA-N
XLogP1.94
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[6,7-dimethoxy-2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[6,7-dimethoxy-2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]-N-(4-methylcyclohexyl)acetamide (CID 30213897) is 2-[6,7-dimethoxy-2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[6,7-dimethoxy-2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[6,7-dimethoxy-2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]-N-(4-methylcyclohexyl)acetamide is COc1cc2nc(CN3CCOCC3)n(CC(=O)NC3CCC(C)CC3)c(=O)c2cc1OC.
What is the InChIKey of 2-[6,7-dimethoxy-2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]-N-(4-methylcyclohexyl)acetamide?
The InChIKey is CGJYWHXNQXRZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O5/c1-16-4-6-17(7-5-16)25-23(29)15-28-22(14-27-8-10-33-11-9-27)26-19-13-21(32-3)20(31-2)12-18(19)24(28)30/h12-13,16-17H,4-11,14-15H2,1-3H3,(H,25,29).
What are the key properties of 2-[6,7-dimethoxy-2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]-N-(4-methylcyclohexyl)acetamide?
2-[6,7-dimethoxy-2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]-N-(4-methylcyclohexyl)acetamide has a molecular weight of 458.56 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,7-dimethoxy-2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 30213897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).