(4-oxo-3H-quinazolin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium

C19H18N3OS2+ — CID 135751190

IUPAC(4-oxo-3H-quinazolin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium
SMILESO=c1[nH]c(C[NH+](Cc2cccs2)Cc2cccs2)nc2ccccc12
InChIInChI=1S/C19H17N3OS2/c23-19-16-7-1-2-8-17(16)20-18(21-19)13-22(11-14-5-3-9-24-14)12-15-6-4-10-25-15/h1-10H,11-13H2,(H,20,21,23)/p+1
InChIKeyOIODNDIDLZJEIS-UHFFFAOYSA-O
MW368.51 g/mol
LogP2.83
Rot. Bonds6

About (4-oxo-3H-quinazolin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium

(4-oxo-3H-quinazolin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium (PubChem CID 135751190) has the molecular formula C19H18N3OS2+ and a molecular weight of 368.51 g/mol. Its IUPAC name is (4-oxo-3H-quinazolin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name(4-oxo-3H-quinazolin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium
PubChem CID135751190
Molecular FormulaC19H18N3OS2+
Molecular Weight368.51 g/mol
Exact Mass368.09
IUPAC Name(4-oxo-3H-quinazolin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium
SMILESO=c1[nH]c(C[NH+](Cc2cccs2)Cc2cccs2)nc2ccccc12
InChIInChI=1S/C19H17N3OS2/c23-19-16-7-1-2-8-17(16)20-18(21-19)13-22(11-14-5-3-9-24-14)12-15-6-4-10-25-15/h1-10H,11-13H2,(H,20,21,23)/p+1
InChIKeyOIODNDIDLZJEIS-UHFFFAOYSA-O
XLogP2.83
TPSA50.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide
CID 135429093
(4-oxo-3H-quinazolin-2-yl)methyl N-(thiophen-2-ylmethyl)carbamodithioate
CID 137226333
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(thiophen-2-ylmethyl)butanamide
CID 135429075
ethyl-[[(2R)-oxan-2-yl]methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808115
N-benzyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-thiophen-2-ylbutanamide
CID 135767267
(4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium
CID 135751392
2-(aminomethyl)-3H-quinazolin-4-one;dihydrochloride
CID 137032189
2-[3-oxo-3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]propyl]-3H-quinazolin-4-one
CID 135718354
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831887
N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-thiophen-2-ylbutanamide
CID 135665197
3-(2-methoxyphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-(thiophen-2-ylmethyl)urea
CID 135429181
(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135751657

Frequently Asked Questions

What is the IUPAC name of (4-oxo-3H-quinazolin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium?
The IUPAC name of (4-oxo-3H-quinazolin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium (CID 135751190) is (4-oxo-3H-quinazolin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for (4-oxo-3H-quinazolin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium?
The canonical SMILES for (4-oxo-3H-quinazolin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium is O=c1[nH]c(C[NH+](Cc2cccs2)Cc2cccs2)nc2ccccc12.
What is the InChIKey of (4-oxo-3H-quinazolin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium?
The InChIKey is OIODNDIDLZJEIS-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H17N3OS2/c23-19-16-7-1-2-8-17(16)20-18(21-19)13-22(11-14-5-3-9-24-14)12-15-6-4-10-25-15/h1-10H,11-13H2,(H,20,21,23)/p+1.
What are the key properties of (4-oxo-3H-quinazolin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium?
(4-oxo-3H-quinazolin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium has a molecular weight of 368.51 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-3H-quinazolin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 135751190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).