butyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium

C19H26N5O3+ — CID 135809165

IUPACbutyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
SMILESCCCC[NH+](CC(=O)NC(=O)NC1CC1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H25N5O3/c1-2-3-10-24(12-17(25)23-19(27)20-13-8-9-13)11-16-21-15-7-5-4-6-14(15)18(26)22-16/h4-7,13H,2-3,8-12H2,1H3,(H,21,22,26)(H2,20,23,25,27)/p+1
InChIKeyIHHOLILVZUGQLJ-UHFFFAOYSA-O
MW372.45 g/mol
LogP0.10
Rot. Bonds8

About butyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium

butyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (PubChem CID 135809165) has the molecular formula C19H26N5O3+ and a molecular weight of 372.45 g/mol. Its IUPAC name is butyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.

Molecular Properties

Compound Namebutyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
PubChem CID135809165
Molecular FormulaC19H26N5O3+
Molecular Weight372.45 g/mol
Exact Mass372.20
IUPAC Namebutyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
SMILESCCCC[NH+](CC(=O)NC(=O)NC1CC1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H25N5O3/c1-2-3-10-24(12-17(25)23-19(27)20-13-8-9-13)11-16-21-15-7-5-4-6-14(15)18(26)22-16/h4-7,13H,2-3,8-12H2,1H3,(H,21,22,26)(H2,20,23,25,27)/p+1
InChIKeyIHHOLILVZUGQLJ-UHFFFAOYSA-O
XLogP0.10
TPSA108.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze butyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium with MolForge

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Launch Full Analysis

Related Compounds

butyl-[2-(butylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135750948
butyl-[2-(2-methylpropylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809287
ethyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808099
ethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808155
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809325
butyl-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809129
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809295
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808225
N-(cyclopropylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135809330
[2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135830018
ethyl-[2-(2-ethylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808183
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 butyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The IUPAC name of butyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (CID 135809165) is butyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.
What is the SMILES notation for butyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The canonical SMILES for butyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is CCCC[NH+](CC(=O)NC(=O)NC1CC1)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of butyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The InChIKey is IHHOLILVZUGQLJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H25N5O3/c1-2-3-10-24(12-17(25)23-19(27)20-13-8-9-13)11-16-21-15-7-5-4-6-14(15)18(26)22-16/h4-7,13H,2-3,8-12H2,1H3,(H,21,22,26)(H2,20,23,25,27)/p+1.
What are the key properties of butyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
butyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium has a molecular weight of 372.45 g/mol, XLogP of 0.10, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is sourced from PubChem (CID 135809165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).