(E)-[amino-[(4-methylbenzoyl)amino]methylidene]-(6-ethoxy-4-methylquinazolin-2-yl)azanium

C20H22N5O2+ — CID 135960932

IUPAC(E)-[amino-[(4-methylbenzoyl)amino]methylidene]-(6-ethoxy-4-methylquinazolin-2-yl)azanium
SMILESCCOc1ccc2nc(/[NH+]=C(\N)NC(=O)c3ccc(C)cc3)nc(C)c2c1
InChIInChI=1S/C20H21N5O2/c1-4-27-15-9-10-17-16(11-15)13(3)22-20(23-17)25-19(21)24-18(26)14-7-5-12(2)6-8-14/h5-11H,4H2,1-3H3,(H3,21,22,23,24,25,26)/p+1
InChIKeyDLVGLGBWYAHNJY-UHFFFAOYSA-O
MW364.43 g/mol
LogP1.10
Rot. Bonds4

About (E)-[amino-[(4-methylbenzoyl)amino]methylidene]-(6-ethoxy-4-methylquinazolin-2-yl)azanium

(E)-[amino-[(4-methylbenzoyl)amino]methylidene]-(6-ethoxy-4-methylquinazolin-2-yl)azanium (PubChem CID 135960932) has the molecular formula C20H22N5O2+ and a molecular weight of 364.43 g/mol. Its IUPAC name is (E)-[amino-[(4-methylbenzoyl)amino]methylidene]-(6-ethoxy-4-methylquinazolin-2-yl)azanium.

Molecular Properties

Compound Name(E)-[amino-[(4-methylbenzoyl)amino]methylidene]-(6-ethoxy-4-methylquinazolin-2-yl)azanium
PubChem CID135960932
Molecular FormulaC20H22N5O2+
Molecular Weight364.43 g/mol
Exact Mass364.18
IUPAC Name(E)-[amino-[(4-methylbenzoyl)amino]methylidene]-(6-ethoxy-4-methylquinazolin-2-yl)azanium
SMILESCCOc1ccc2nc(/[NH+]=C(\N)NC(=O)c3ccc(C)cc3)nc(C)c2c1
InChIInChI=1S/C20H21N5O2/c1-4-27-15-9-10-17-16(11-15)13(3)22-20(23-17)25-19(21)24-18(26)14-7-5-12(2)6-8-14/h5-11H,4H2,1-3H3,(H3,21,22,23,24,25,26)/p+1
InChIKeyDLVGLGBWYAHNJY-UHFFFAOYSA-O
XLogP1.10
TPSA104.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[amino(benzamido)methylidene]-(4,7-dimethylquinazolin-2-yl)azanium
CID 4128918
N-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 135406367
6-ethoxy-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid
CID 3511446
4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-hydroxybenzamide
CID 176515048
1-cyclohexyl-3-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]urea
CID 135452734
1-cyclohexyl-3-[(E)-N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]urea
CID 135546025
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
CID 4791318
N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methylbenzamide
CID 2279257
[amino-[(6-ethoxy-4-methylquinazolin-2-yl)amino]methylidene]-[(3-methoxyphenyl)carbamothioyl]azanium
CID 2012445
ethyl (E)-2-[(E)-N'-[(E)-N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]carbamimidoyl]-3-hydroxy-3-phenylprop-2-enoate
CID 135643695
6-ethoxy-2-methylquinoline-3-carboxylic acid
CID 17039997
6-ethoxy-4-methylquinoline-2-carboxylic acid
CID 82574771

Frequently Asked Questions

What is the IUPAC name of (E)-[amino-[(4-methylbenzoyl)amino]methylidene]-(6-ethoxy-4-methylquinazolin-2-yl)azanium?
The IUPAC name of (E)-[amino-[(4-methylbenzoyl)amino]methylidene]-(6-ethoxy-4-methylquinazolin-2-yl)azanium (CID 135960932) is (E)-[amino-[(4-methylbenzoyl)amino]methylidene]-(6-ethoxy-4-methylquinazolin-2-yl)azanium.
What is the SMILES notation for (E)-[amino-[(4-methylbenzoyl)amino]methylidene]-(6-ethoxy-4-methylquinazolin-2-yl)azanium?
The canonical SMILES for (E)-[amino-[(4-methylbenzoyl)amino]methylidene]-(6-ethoxy-4-methylquinazolin-2-yl)azanium is CCOc1ccc2nc(/[NH+]=C(\N)NC(=O)c3ccc(C)cc3)nc(C)c2c1.
What is the InChIKey of (E)-[amino-[(4-methylbenzoyl)amino]methylidene]-(6-ethoxy-4-methylquinazolin-2-yl)azanium?
The InChIKey is DLVGLGBWYAHNJY-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H21N5O2/c1-4-27-15-9-10-17-16(11-15)13(3)22-20(23-17)25-19(21)24-18(26)14-7-5-12(2)6-8-14/h5-11H,4H2,1-3H3,(H3,21,22,23,24,25,26)/p+1.
What are the key properties of (E)-[amino-[(4-methylbenzoyl)amino]methylidene]-(6-ethoxy-4-methylquinazolin-2-yl)azanium?
(E)-[amino-[(4-methylbenzoyl)amino]methylidene]-(6-ethoxy-4-methylquinazolin-2-yl)azanium has a molecular weight of 364.43 g/mol, XLogP of 1.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[amino-[(4-methylbenzoyl)amino]methylidene]-(6-ethoxy-4-methylquinazolin-2-yl)azanium is sourced from PubChem (CID 135960932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).