2-cyclopentyl-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide

C17H21N5O — CID 170701778

IUPAC2-cyclopentyl-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide
SMILESCc1nc(/N=C(\N)NC(=O)CC2CCCC2)nc2ccccc12
InChIInChI=1S/C17H21N5O/c1-11-13-8-4-5-9-14(13)20-17(19-11)22-16(18)21-15(23)10-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H3,18,19,20,21,22,23)
InChIKeyURMIUJLAHMBKFR-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.58
Rot. Bonds3

About 2-cyclopentyl-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide

2-cyclopentyl-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide (PubChem CID 170701778) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide
PubChem CID170701778
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name2-cyclopentyl-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide
SMILESCc1nc(/N=C(\N)NC(=O)CC2CCCC2)nc2ccccc12
InChIInChI=1S/C17H21N5O/c1-11-13-8-4-5-9-14(13)20-17(19-11)22-16(18)21-15(23)10-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H3,18,19,20,21,22,23)
InChIKeyURMIUJLAHMBKFR-UHFFFAOYSA-N
XLogP2.58
TPSA93.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide (CID 170701778) is 2-cyclopentyl-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide is Cc1nc(/N=C(\N)NC(=O)CC2CCCC2)nc2ccccc12.
What is the InChIKey of 2-cyclopentyl-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide?
The InChIKey is URMIUJLAHMBKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-11-13-8-4-5-9-14(13)20-17(19-11)22-16(18)21-15(23)10-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H3,18,19,20,21,22,23).
What are the key properties of 2-cyclopentyl-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide?
2-cyclopentyl-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide has a molecular weight of 311.39 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide is sourced from PubChem (CID 170701778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).