1-(diaminomethylidene)-2-(1-methyl-2-oxo-3,4-dihydroquinazolin-7-yl)guanidine

C11H15N7O — CID 168604032

IUPAC1-(diaminomethylidene)-2-(1-methyl-2-oxo-3,4-dihydroquinazolin-7-yl)guanidine
SMILESCN1C(=O)NCc2ccc(/N=C(\N)N=C(N)N)cc21
InChIInChI=1S/C11H15N7O/c1-18-8-4-7(16-10(14)17-9(12)13)3-2-6(8)5-15-11(18)19/h2-4H,5H2,1H3,(H,15,19)(H6,12,13,14,16,17)
InChIKeyBQDMQJRDNXTCMG-UHFFFAOYSA-N
MW261.29 g/mol
LogP-0.43
Rot. Bonds1

About 1-(diaminomethylidene)-2-(1-methyl-2-oxo-3,4-dihydroquinazolin-7-yl)guanidine

1-(diaminomethylidene)-2-(1-methyl-2-oxo-3,4-dihydroquinazolin-7-yl)guanidine (PubChem CID 168604032) has the molecular formula C11H15N7O and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(1-methyl-2-oxo-3,4-dihydroquinazolin-7-yl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(1-methyl-2-oxo-3,4-dihydroquinazolin-7-yl)guanidine
PubChem CID168604032
Molecular FormulaC11H15N7O
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name1-(diaminomethylidene)-2-(1-methyl-2-oxo-3,4-dihydroquinazolin-7-yl)guanidine
SMILESCN1C(=O)NCc2ccc(/N=C(\N)N=C(N)N)cc21
InChIInChI=1S/C11H15N7O/c1-18-8-4-7(16-10(14)17-9(12)13)3-2-6(8)5-15-11(18)19/h2-4H,5H2,1H3,(H,15,19)(H6,12,13,14,16,17)
InChIKeyBQDMQJRDNXTCMG-UHFFFAOYSA-N
XLogP-0.43
TPSA135.12 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 5-0.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(1-methyl-2-oxo-3,4-dihydroquinazolin-7-yl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(1-methyl-2-oxo-3,4-dihydroquinazolin-7-yl)guanidine (CID 168604032) is 1-(diaminomethylidene)-2-(1-methyl-2-oxo-3,4-dihydroquinazolin-7-yl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(1-methyl-2-oxo-3,4-dihydroquinazolin-7-yl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(1-methyl-2-oxo-3,4-dihydroquinazolin-7-yl)guanidine is CN1C(=O)NCc2ccc(/N=C(\N)N=C(N)N)cc21.
What is the InChIKey of 1-(diaminomethylidene)-2-(1-methyl-2-oxo-3,4-dihydroquinazolin-7-yl)guanidine?
The InChIKey is BQDMQJRDNXTCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O/c1-18-8-4-7(16-10(14)17-9(12)13)3-2-6(8)5-15-11(18)19/h2-4H,5H2,1H3,(H,15,19)(H6,12,13,14,16,17).
What are the key properties of 1-(diaminomethylidene)-2-(1-methyl-2-oxo-3,4-dihydroquinazolin-7-yl)guanidine?
1-(diaminomethylidene)-2-(1-methyl-2-oxo-3,4-dihydroquinazolin-7-yl)guanidine has a molecular weight of 261.29 g/mol, XLogP of -0.43, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(1-methyl-2-oxo-3,4-dihydroquinazolin-7-yl)guanidine is sourced from PubChem (CID 168604032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).