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

C19H29N4O2+ — CID 135809287

IUPACbutyl-[2-(2-methylpropylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
SMILESCCCC[NH+](CC(=O)NCC(C)C)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H28N4O2/c1-4-5-10-23(13-18(24)20-11-14(2)3)12-17-21-16-9-7-6-8-15(16)19(25)22-17/h6-9,14H,4-5,10-13H2,1-3H3,(H,20,24)(H,21,22,25)/p+1
InChIKeyJMQUEEPMBUJVDV-UHFFFAOYSA-O
MW345.47 g/mol
LogP0.88
Rot. Bonds9

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

butyl-[2-(2-methylpropylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (PubChem CID 135809287) has the molecular formula C19H29N4O2+ and a molecular weight of 345.47 g/mol. Its IUPAC name is butyl-[2-(2-methylpropylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.

Molecular Properties

Compound Namebutyl-[2-(2-methylpropylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
PubChem CID135809287
Molecular FormulaC19H29N4O2+
Molecular Weight345.47 g/mol
Exact Mass345.23
IUPAC Namebutyl-[2-(2-methylpropylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
SMILESCCCC[NH+](CC(=O)NCC(C)C)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H28N4O2/c1-4-5-10-23(13-18(24)20-11-14(2)3)12-17-21-16-9-7-6-8-15(16)19(25)22-17/h6-9,14H,4-5,10-13H2,1-3H3,(H,20,24)(H,21,22,25)/p+1
InChIKeyJMQUEEPMBUJVDV-UHFFFAOYSA-O
XLogP0.88
TPSA79.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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Related Compounds

butyl-[2-(butylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135750948
ethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808155
butyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809165
butyl-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809129
ethyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808099
ethyl-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808211
2-methoxyethyl-[2-oxo-2-(2-phenylethylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809409
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809325
(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[2-(2-methylpropylamino)-2-oxoethyl]azanium
CID 135808677
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809389
ethyl-[2-(2-ethylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808183
1-methyl-3-(2-methylpropyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 135687276

Frequently Asked Questions

What is the IUPAC name of butyl-[2-(2-methylpropylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The IUPAC name of butyl-[2-(2-methylpropylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (CID 135809287) is butyl-[2-(2-methylpropylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.
What is the SMILES notation for butyl-[2-(2-methylpropylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The canonical SMILES for butyl-[2-(2-methylpropylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is CCCC[NH+](CC(=O)NCC(C)C)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of butyl-[2-(2-methylpropylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The InChIKey is JMQUEEPMBUJVDV-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H28N4O2/c1-4-5-10-23(13-18(24)20-11-14(2)3)12-17-21-16-9-7-6-8-15(16)19(25)22-17/h6-9,14H,4-5,10-13H2,1-3H3,(H,20,24)(H,21,22,25)/p+1.
What are the key properties of butyl-[2-(2-methylpropylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
butyl-[2-(2-methylpropylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium has a molecular weight of 345.47 g/mol, XLogP of 0.88, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[2-(2-methylpropylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is sourced from PubChem (CID 135809287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).