4-(dimethylamino)-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanamide

C16H22N6O — CID 170701640

IUPAC4-(dimethylamino)-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanamide
SMILESCc1nc(/N=C(\N)NC(=O)CCCN(C)C)nc2ccccc12
InChIInChI=1S/C16H22N6O/c1-11-12-7-4-5-8-13(12)19-16(18-11)21-15(17)20-14(23)9-6-10-22(2)3/h4-5,7-8H,6,9-10H2,1-3H3,(H3,17,18,19,20,21,23)
InChIKeyDCGYAQCHCFXGQY-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.34
Rot. Bonds5

About 4-(dimethylamino)-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanamide

4-(dimethylamino)-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanamide (PubChem CID 170701640) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanamide
PubChem CID170701640
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name4-(dimethylamino)-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanamide
SMILESCc1nc(/N=C(\N)NC(=O)CCCN(C)C)nc2ccccc12
InChIInChI=1S/C16H22N6O/c1-11-12-7-4-5-8-13(12)19-16(18-11)21-15(17)20-14(23)9-6-10-22(2)3/h4-5,7-8H,6,9-10H2,1-3H3,(H3,17,18,19,20,21,23)
InChIKeyDCGYAQCHCFXGQY-UHFFFAOYSA-N
XLogP1.34
TPSA96.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.34
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanamide?
The IUPAC name of 4-(dimethylamino)-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanamide (CID 170701640) is 4-(dimethylamino)-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanamide.
What is the SMILES notation for 4-(dimethylamino)-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanamide?
The canonical SMILES for 4-(dimethylamino)-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanamide is Cc1nc(/N=C(\N)NC(=O)CCCN(C)C)nc2ccccc12.
What is the InChIKey of 4-(dimethylamino)-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanamide?
The InChIKey is DCGYAQCHCFXGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-11-12-7-4-5-8-13(12)19-16(18-11)21-15(17)20-14(23)9-6-10-22(2)3/h4-5,7-8H,6,9-10H2,1-3H3,(H3,17,18,19,20,21,23).
What are the key properties of 4-(dimethylamino)-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanamide?
4-(dimethylamino)-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanamide has a molecular weight of 314.39 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanamide is sourced from PubChem (CID 170701640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).