2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(3-cyanophenyl)acetamide

C22H23N5O2 — CID 135809216

IUPAC2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(3-cyanophenyl)acetamide
SMILESCCCCN(CC(=O)Nc1cccc(C#N)c1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C22H23N5O2/c1-2-3-11-27(15-21(28)24-17-8-6-7-16(12-17)13-23)14-20-25-19-10-5-4-9-18(19)22(29)26-20/h4-10,12H,2-3,11,14-15H2,1H3,(H,24,28)(H,25,26,29)
InChIKeyAHVIWRVGIFSTOM-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.04
Rot. Bonds8

About 2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(3-cyanophenyl)acetamide

2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(3-cyanophenyl)acetamide (PubChem CID 135809216) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(3-cyanophenyl)acetamide
PubChem CID135809216
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(3-cyanophenyl)acetamide
SMILESCCCCN(CC(=O)Nc1cccc(C#N)c1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C22H23N5O2/c1-2-3-11-27(15-21(28)24-17-8-6-7-16(12-17)13-23)14-20-25-19-10-5-4-9-18(19)22(29)26-20/h4-10,12H,2-3,11,14-15H2,1H3,(H,24,28)(H,25,26,29)
InChIKeyAHVIWRVGIFSTOM-UHFFFAOYSA-N
XLogP3.04
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-naphthalen-2-ylacetamide
CID 135892988
2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 135809178
2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(ethylcarbamoyl)acetamide
CID 135809146
2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-chloro-4-fluorophenyl)acetamide
CID 135809212
2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-chloro-3-pyridinyl)acetamide
CID 135729541
N-(3-chloro-4-methylphenyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135809360
N-[[(2S)-butan-2-yl]carbamoyl]-2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135809160
N-(2,6-dimethylphenyl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135808330
2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 135809140
N-ethyl-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135824653
2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-fluorophenyl)acetamide
CID 135808434
N-(3-cyanophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 9038792

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(3-cyanophenyl)acetamide (CID 135809216) is 2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(3-cyanophenyl)acetamide is CCCCN(CC(=O)Nc1cccc(C#N)c1)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(3-cyanophenyl)acetamide?
The InChIKey is AHVIWRVGIFSTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-2-3-11-27(15-21(28)24-17-8-6-7-16(12-17)13-23)14-20-25-19-10-5-4-9-18(19)22(29)26-20/h4-10,12H,2-3,11,14-15H2,1H3,(H,24,28)(H,25,26,29).
What are the key properties of 2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(3-cyanophenyl)acetamide?
2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(3-cyanophenyl)acetamide has a molecular weight of 389.46 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 135809216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).