4-(2-cyclopropyl-3-methyl-4-oxoquinazolin-6-yl)-N'-hydroxybenzenecarboximidamide

C19H18N4O2 — CID 139231775

IUPAC4-(2-cyclopropyl-3-methyl-4-oxoquinazolin-6-yl)-N'-hydroxybenzenecarboximidamide
SMILESCn1c(C2CC2)nc2ccc(-c3ccc(/C(N)=N\O)cc3)cc2c1=O
InChIInChI=1S/C19H18N4O2/c1-23-18(13-6-7-13)21-16-9-8-14(10-15(16)19(23)24)11-2-4-12(5-3-11)17(20)22-25/h2-5,8-10,13,25H,6-7H2,1H3,(H2,20,22)
InChIKeyAZAXMTYEFMYCIF-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.57
Rot. Bonds3

About 4-(2-cyclopropyl-3-methyl-4-oxoquinazolin-6-yl)-N'-hydroxybenzenecarboximidamide

4-(2-cyclopropyl-3-methyl-4-oxoquinazolin-6-yl)-N'-hydroxybenzenecarboximidamide (PubChem CID 139231775) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-(2-cyclopropyl-3-methyl-4-oxoquinazolin-6-yl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(2-cyclopropyl-3-methyl-4-oxoquinazolin-6-yl)-N'-hydroxybenzenecarboximidamide
PubChem CID139231775
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name4-(2-cyclopropyl-3-methyl-4-oxoquinazolin-6-yl)-N'-hydroxybenzenecarboximidamide
SMILESCn1c(C2CC2)nc2ccc(-c3ccc(/C(N)=N\O)cc3)cc2c1=O
InChIInChI=1S/C19H18N4O2/c1-23-18(13-6-7-13)21-16-9-8-14(10-15(16)19(23)24)11-2-4-12(5-3-11)17(20)22-25/h2-5,8-10,13,25H,6-7H2,1H3,(H2,20,22)
InChIKeyAZAXMTYEFMYCIF-UHFFFAOYSA-N
XLogP2.57
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-3-methyl-4-oxoquinazolin-6-yl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(2-cyclopropyl-3-methyl-4-oxoquinazolin-6-yl)-N'-hydroxybenzenecarboximidamide (CID 139231775) is 4-(2-cyclopropyl-3-methyl-4-oxoquinazolin-6-yl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(2-cyclopropyl-3-methyl-4-oxoquinazolin-6-yl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(2-cyclopropyl-3-methyl-4-oxoquinazolin-6-yl)-N'-hydroxybenzenecarboximidamide is Cn1c(C2CC2)nc2ccc(-c3ccc(/C(N)=N\O)cc3)cc2c1=O.
What is the InChIKey of 4-(2-cyclopropyl-3-methyl-4-oxoquinazolin-6-yl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is AZAXMTYEFMYCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-23-18(13-6-7-13)21-16-9-8-14(10-15(16)19(23)24)11-2-4-12(5-3-11)17(20)22-25/h2-5,8-10,13,25H,6-7H2,1H3,(H2,20,22).
What are the key properties of 4-(2-cyclopropyl-3-methyl-4-oxoquinazolin-6-yl)-N'-hydroxybenzenecarboximidamide?
4-(2-cyclopropyl-3-methyl-4-oxoquinazolin-6-yl)-N'-hydroxybenzenecarboximidamide has a molecular weight of 334.38 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-3-methyl-4-oxoquinazolin-6-yl)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 139231775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).