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

C21H25N5O4 — CID 135809140

IUPAC2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESCCCCN(CC(=O)NC(=O)NCc1ccco1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C21H25N5O4/c1-2-3-10-26(13-18-23-17-9-5-4-8-16(17)20(28)24-18)14-19(27)25-21(29)22-12-15-7-6-11-30-15/h4-9,11H,2-3,10,12-14H2,1H3,(H,23,24,28)(H2,22,25,27,29)
InChIKeyOFEXHRQQGJQNMV-UHFFFAOYSA-N
MW411.46 g/mol
LogP2.14
Rot. Bonds9

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

2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide (PubChem CID 135809140) has the molecular formula C21H25N5O4 and a molecular weight of 411.46 g/mol. Its IUPAC name is 2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide
PubChem CID135809140
Molecular FormulaC21H25N5O4
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC Name2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESCCCCN(CC(=O)NC(=O)NCc1ccco1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C21H25N5O4/c1-2-3-10-26(13-18-23-17-9-5-4-8-16(17)20(28)24-18)14-19(27)25-21(29)22-12-15-7-6-11-30-15/h4-9,11H,2-3,10,12-14H2,1H3,(H,23,24,28)(H2,22,25,27,29)
InChIKeyOFEXHRQQGJQNMV-UHFFFAOYSA-N
XLogP2.14
TPSA120.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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-(ethylcarbamoyl)acetamide
CID 135809146
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
2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-naphthalen-2-ylacetamide
CID 135892988
2-(dipropylamino)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 43061736
(3R)-N-(furan-2-ylmethyl)-3-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135624113
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-(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-(furan-2-ylmethylcarbamoyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 60691736

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide (CID 135809140) is 2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide is CCCCN(CC(=O)NC(=O)NCc1ccco1)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The InChIKey is OFEXHRQQGJQNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4/c1-2-3-10-26(13-18-23-17-9-5-4-8-16(17)20(28)24-18)14-19(27)25-21(29)22-12-15-7-6-11-30-15/h4-9,11H,2-3,10,12-14H2,1H3,(H,23,24,28)(H2,22,25,27,29).
What are the key properties of 2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide?
2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide has a molecular weight of 411.46 g/mol, XLogP of 2.14, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 135809140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).