2-(2-cyanophenoxy)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide

C18H18N4O2 — CID 71689664

IUPAC2-(2-cyanophenoxy)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
SMILESCc1ncc2c(n1)CCCC2NC(=O)COc1ccccc1C#N
InChIInChI=1S/C18H18N4O2/c1-12-20-10-14-15(21-12)6-4-7-16(14)22-18(23)11-24-17-8-3-2-5-13(17)9-19/h2-3,5,8,10,16H,4,6-7,11H2,1H3,(H,22,23)
InChIKeyJJWFDVKBNWCDQK-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.23
Rot. Bonds4

About 2-(2-cyanophenoxy)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide

2-(2-cyanophenoxy)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide (PubChem CID 71689664) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
PubChem CID71689664
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-(2-cyanophenoxy)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
SMILESCc1ncc2c(n1)CCCC2NC(=O)COc1ccccc1C#N
InChIInChI=1S/C18H18N4O2/c1-12-20-10-14-15(21-12)6-4-7-16(14)22-18(23)11-24-17-8-3-2-5-13(17)9-19/h2-3,5,8,10,16H,4,6-7,11H2,1H3,(H,22,23)
InChIKeyJJWFDVKBNWCDQK-UHFFFAOYSA-N
XLogP2.23
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyanophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4235995
2-(4-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 71689758
2-(2-hydroxyphenoxy)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 72852912
2-indol-1-yl-N-[(5R)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
CID 95740709
2-(1-hydroxycyclohexyl)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
CID 95930428
2-(2-methoxyphenyl)-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
CID 25453314
2-(2-methoxyethoxy)-N-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
CID 97127538
2-(2-cyanophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 6601783
2-(2-cyanophenoxy)-N-(3,3-dimethylcyclopentyl)acetamide
CID 115880584
2-(2-cyanophenoxy)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 26723131
2-(2-methylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 16545520
N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiophene-2-carboxamide
CID 95740668

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide (CID 71689664) is 2-(2-cyanophenoxy)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide is Cc1ncc2c(n1)CCCC2NC(=O)COc1ccccc1C#N.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide?
The InChIKey is JJWFDVKBNWCDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-20-10-14-15(21-12)6-4-7-16(14)22-18(23)11-24-17-8-3-2-5-13(17)9-19/h2-3,5,8,10,16H,4,6-7,11H2,1H3,(H,22,23).
What are the key properties of 2-(2-cyanophenoxy)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide?
2-(2-cyanophenoxy)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide has a molecular weight of 322.37 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide is sourced from PubChem (CID 71689664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).