1-cyclohexyl-3-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]urea

C19H26N6O2 — CID 135452734

IUPAC1-cyclohexyl-3-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]urea
SMILESCCOc1ccc2nc(N=C(N)NC(=O)NC3CCCCC3)nc(C)c2c1
InChIInChI=1S/C19H26N6O2/c1-3-27-14-9-10-16-15(11-14)12(2)21-18(23-16)24-17(20)25-19(26)22-13-7-5-4-6-8-13/h9-11,13H,3-8H2,1-2H3,(H4,20,21,22,23,24,25,26)
InChIKeyMOZQIAMZXNYLBU-UHFFFAOYSA-N
MW370.46 g/mol
LogP2.92
Rot. Bonds4

About 1-cyclohexyl-3-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]urea

1-cyclohexyl-3-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]urea (PubChem CID 135452734) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-cyclohexyl-3-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]urea
PubChem CID135452734
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name1-cyclohexyl-3-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]urea
SMILESCCOc1ccc2nc(N=C(N)NC(=O)NC3CCCCC3)nc(C)c2c1
InChIInChI=1S/C19H26N6O2/c1-3-27-14-9-10-16-15(11-14)12(2)21-18(23-16)24-17(20)25-19(26)22-13-7-5-4-6-8-13/h9-11,13H,3-8H2,1-2H3,(H4,20,21,22,23,24,25,26)
InChIKeyMOZQIAMZXNYLBU-UHFFFAOYSA-N
XLogP2.92
TPSA114.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.92
H-Bond Donors ≤ 53
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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Related Compounds

1-cyclohexyl-3-[(E)-N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]urea
CID 135546025
N-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 135406367
N-[(E)-N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]acetamide
CID 135637427
N-[N'-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]-2,2-dimethylpropanamide
CID 135492108
N-[(Z)-N'-(7-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 135504316
N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanamide
CID 135506328
N-[(E)-N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-2-phenylacetamide
CID 135447204
N-[(Z)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide
CID 135543529
ethyl 4-(cyclohexylamino)-6-ethoxyquinoline-3-carboxylate
CID 696570
N-(cyclohexylcarbamoyl)-2-(3,4-dimethylphenoxy)acetamide
CID 7610559
N'-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanediamide
CID 174298249
(E)-[amino-[(4-methylbenzoyl)amino]methylidene]-(6-ethoxy-4-methylquinazolin-2-yl)azanium
CID 135960932

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]urea?
The IUPAC name of 1-cyclohexyl-3-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]urea (CID 135452734) is 1-cyclohexyl-3-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]urea is CCOc1ccc2nc(N=C(N)NC(=O)NC3CCCCC3)nc(C)c2c1.
What is the InChIKey of 1-cyclohexyl-3-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]urea?
The InChIKey is MOZQIAMZXNYLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-3-27-14-9-10-16-15(11-14)12(2)21-18(23-16)24-17(20)25-19(26)22-13-7-5-4-6-8-13/h9-11,13H,3-8H2,1-2H3,(H4,20,21,22,23,24,25,26).
What are the key properties of 1-cyclohexyl-3-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]urea?
1-cyclohexyl-3-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]urea has a molecular weight of 370.46 g/mol, XLogP of 2.92, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]urea is sourced from PubChem (CID 135452734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).