(4Z)-3-amino-4-(1-aminoethylidene)-6-methyl-1H-quinazolin-2-one;ethane

C13H20N4O — CID 177234679

IUPAC(4Z)-3-amino-4-(1-aminoethylidene)-6-methyl-1H-quinazolin-2-one;ethane
SMILESC/C(N)=C1\c2cc(C)ccc2NC(=O)N1N.CC
InChIInChI=1S/C11H14N4O.C2H6/c1-6-3-4-9-8(5-6)10(7(2)12)15(13)11(16)14-9;1-2/h3-5H,12-13H2,1-2H3,(H,14,16);1-2H3/b10-7-;
InChIKeyIQLNNZAKRVJTMO-VEZAGKLZSA-N
MW248.33 g/mol
LogP2.39
Rot. Bonds

About (4Z)-3-amino-4-(1-aminoethylidene)-6-methyl-1H-quinazolin-2-one;ethane

(4Z)-3-amino-4-(1-aminoethylidene)-6-methyl-1H-quinazolin-2-one;ethane (PubChem CID 177234679) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is (4Z)-3-amino-4-(1-aminoethylidene)-6-methyl-1H-quinazolin-2-one;ethane.

Molecular Properties

Compound Name(4Z)-3-amino-4-(1-aminoethylidene)-6-methyl-1H-quinazolin-2-one;ethane
PubChem CID177234679
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name(4Z)-3-amino-4-(1-aminoethylidene)-6-methyl-1H-quinazolin-2-one;ethane
SMILESC/C(N)=C1\c2cc(C)ccc2NC(=O)N1N.CC
InChIInChI=1S/C11H14N4O.C2H6/c1-6-3-4-9-8(5-6)10(7(2)12)15(13)11(16)14-9;1-2/h3-5H,12-13H2,1-2H3,(H,14,16);1-2H3/b10-7-;
InChIKeyIQLNNZAKRVJTMO-VEZAGKLZSA-N
XLogP2.39
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

ethane;5-methyl-1H-indole-2,3-dione
CID 167465051
2-ethyl-7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
CID 82084501
6-methyl-4-methylidene-3-(4-methylphenyl)-1H-quinazolin-2-one
CID 744400
2,6-dimethyl-1,2-dihydro-3,1-benzoxazin-4-one
CID 121370933
2-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione
CID 135497959
ethane;5-methyl-1,3-dihydroindol-2-one
CID 91234498
ethyl (2E)-2-cyano-2-(5-methyl-2-oxo-1H-indol-3-ylidene)acetate
CID 21159980
(3E)-3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methylidene]-5-methyl-1H-indol-2-one
CID 113196626
(3E)-3-[(4-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one
CID 92958265
(2S)-2-amino-3-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)propanamide
CID 166893790
2-[4-(carboxymethyl)-5-hydroxy-2-methylphenyl]acetic acid;5-methyl-1H-indole-2,3-dione
CID 157361158
5-methylisoindole-1,3-dione;propane
CID 156794481

Frequently Asked Questions

What is the IUPAC name of (4Z)-3-amino-4-(1-aminoethylidene)-6-methyl-1H-quinazolin-2-one;ethane?
The IUPAC name of (4Z)-3-amino-4-(1-aminoethylidene)-6-methyl-1H-quinazolin-2-one;ethane (CID 177234679) is (4Z)-3-amino-4-(1-aminoethylidene)-6-methyl-1H-quinazolin-2-one;ethane.
What is the SMILES notation for (4Z)-3-amino-4-(1-aminoethylidene)-6-methyl-1H-quinazolin-2-one;ethane?
The canonical SMILES for (4Z)-3-amino-4-(1-aminoethylidene)-6-methyl-1H-quinazolin-2-one;ethane is C/C(N)=C1\c2cc(C)ccc2NC(=O)N1N.CC.
What is the InChIKey of (4Z)-3-amino-4-(1-aminoethylidene)-6-methyl-1H-quinazolin-2-one;ethane?
The InChIKey is IQLNNZAKRVJTMO-VEZAGKLZSA-N. The full InChI is InChI=1S/C11H14N4O.C2H6/c1-6-3-4-9-8(5-6)10(7(2)12)15(13)11(16)14-9;1-2/h3-5H,12-13H2,1-2H3,(H,14,16);1-2H3/b10-7-;.
What are the key properties of (4Z)-3-amino-4-(1-aminoethylidene)-6-methyl-1H-quinazolin-2-one;ethane?
(4Z)-3-amino-4-(1-aminoethylidene)-6-methyl-1H-quinazolin-2-one;ethane has a molecular weight of 248.33 g/mol, XLogP of 2.39, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-amino-4-(1-aminoethylidene)-6-methyl-1H-quinazolin-2-one;ethane is sourced from PubChem (CID 177234679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).