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

C18H25N5O3 — CID 135809146

IUPAC2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(ethylcarbamoyl)acetamide
SMILESCCCCN(CC(=O)NC(=O)NCC)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H25N5O3/c1-3-5-10-23(12-16(24)22-18(26)19-4-2)11-15-20-14-9-7-6-8-13(14)17(25)21-15/h6-9H,3-5,10-12H2,1-2H3,(H,20,21,25)(H2,19,22,24,26)
InChIKeyIKIFLBWBGPMMNT-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.37
Rot. Bonds8

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

2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(ethylcarbamoyl)acetamide (PubChem CID 135809146) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(ethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(ethylcarbamoyl)acetamide
PubChem CID135809146
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(ethylcarbamoyl)acetamide
SMILESCCCCN(CC(=O)NC(=O)NCC)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H25N5O3/c1-3-5-10-23(12-16(24)22-18(26)19-4-2)11-15-20-14-9-7-6-8-13(14)17(25)21-15/h6-9H,3-5,10-12H2,1-2H3,(H,20,21,25)(H2,19,22,24,26)
InChIKeyIKIFLBWBGPMMNT-UHFFFAOYSA-N
XLogP1.37
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 135809140
N-[[(2S)-butan-2-yl]carbamoyl]-2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135809160
N-(butylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135750989
N-ethyl-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135824653
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-(2-chloro-3-pyridinyl)acetamide
CID 135729541
N-(furan-2-ylmethylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135809310
2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(3-cyanophenyl)acetamide
CID 135809216
2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-chloro-4-fluorophenyl)acetamide
CID 135809212
N-(cyclopropylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135809330
N-(cyclopentylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135809308

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(ethylcarbamoyl)acetamide?
The IUPAC name of 2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(ethylcarbamoyl)acetamide (CID 135809146) is 2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(ethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(ethylcarbamoyl)acetamide?
The canonical SMILES for 2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(ethylcarbamoyl)acetamide is CCCCN(CC(=O)NC(=O)NCC)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(ethylcarbamoyl)acetamide?
The InChIKey is IKIFLBWBGPMMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-3-5-10-23(12-16(24)22-18(26)19-4-2)11-15-20-14-9-7-6-8-13(14)17(25)21-15/h6-9H,3-5,10-12H2,1-2H3,(H,20,21,25)(H2,19,22,24,26).
What are the key properties of 2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(ethylcarbamoyl)acetamide?
2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(ethylcarbamoyl)acetamide has a molecular weight of 359.43 g/mol, XLogP of 1.37, 8 rotatable bonds, 3 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-(ethylcarbamoyl)acetamide is sourced from PubChem (CID 135809146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).