2-(4-methylquinazolin-2-yl)-1-(4-pentoxyphenyl)guanidine

C21H25N5O — CID 58638853

IUPAC2-(4-methylquinazolin-2-yl)-1-(4-pentoxyphenyl)guanidine
SMILESCCCCCOc1ccc(N/C(N)=N/c2nc(C)c3ccccc3n2)cc1
InChIInChI=1S/C21H25N5O/c1-3-4-7-14-27-17-12-10-16(11-13-17)24-20(22)26-21-23-15(2)18-8-5-6-9-19(18)25-21/h5-6,8-13H,3-4,7,14H2,1-2H3,(H3,22,23,24,25,26)
InChIKeyMJQXTFUDTWXSBT-UHFFFAOYSA-N
MW363.47 g/mol
LogP4.57
Rot. Bonds7

About 2-(4-methylquinazolin-2-yl)-1-(4-pentoxyphenyl)guanidine

2-(4-methylquinazolin-2-yl)-1-(4-pentoxyphenyl)guanidine (PubChem CID 58638853) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 2-(4-methylquinazolin-2-yl)-1-(4-pentoxyphenyl)guanidine.

Molecular Properties

Compound Name2-(4-methylquinazolin-2-yl)-1-(4-pentoxyphenyl)guanidine
PubChem CID58638853
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name2-(4-methylquinazolin-2-yl)-1-(4-pentoxyphenyl)guanidine
SMILESCCCCCOc1ccc(N/C(N)=N/c2nc(C)c3ccccc3n2)cc1
InChIInChI=1S/C21H25N5O/c1-3-4-7-14-27-17-12-10-16(11-13-17)24-20(22)26-21-23-15(2)18-8-5-6-9-19(18)25-21/h5-6,8-13H,3-4,7,14H2,1-2H3,(H3,22,23,24,25,26)
InChIKeyMJQXTFUDTWXSBT-UHFFFAOYSA-N
XLogP4.57
TPSA85.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]-3-phenylurea
CID 135444510
N-[(Z)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanamide
CID 135451367
N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanamide
CID 135506328
1,2-bis(4-butoxyphenyl)guanidine;hydrobromide
CID 22675707
N-[(Z)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide
CID 135543529
2-(4,6-dimethylpyrimidin-2-yl)-1-[4-pentoxy-3-(trifluoromethyl)phenyl]guanidine
CID 58638829
2-(4,6-dimethylpyrimidin-2-yl)-1-(3-fluoro-4-pentoxyphenyl)guanidine
CID 11551941
N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 135436000
N'-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanediamide
CID 174298249
N-[N'-(6-ethoxy-4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 135406367
2,4-bis(4-octoxyphenyl)-1-N,3-N-bis[4-(2-phenylethynyl)phenyl]cyclobutane-1,3-dicarboxamide;2-(4-butoxyphenyl)-4-(4-methylphenyl)-1-N,3-N-bis[4-(2-phenylethynyl)phenyl]cyclobutane-1,3-dicarboxamide
CID 91548807
N-(4-hexoxyphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 54809387

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylquinazolin-2-yl)-1-(4-pentoxyphenyl)guanidine?
The IUPAC name of 2-(4-methylquinazolin-2-yl)-1-(4-pentoxyphenyl)guanidine (CID 58638853) is 2-(4-methylquinazolin-2-yl)-1-(4-pentoxyphenyl)guanidine.
What is the SMILES notation for 2-(4-methylquinazolin-2-yl)-1-(4-pentoxyphenyl)guanidine?
The canonical SMILES for 2-(4-methylquinazolin-2-yl)-1-(4-pentoxyphenyl)guanidine is CCCCCOc1ccc(N/C(N)=N/c2nc(C)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methylquinazolin-2-yl)-1-(4-pentoxyphenyl)guanidine?
The InChIKey is MJQXTFUDTWXSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-3-4-7-14-27-17-12-10-16(11-13-17)24-20(22)26-21-23-15(2)18-8-5-6-9-19(18)25-21/h5-6,8-13H,3-4,7,14H2,1-2H3,(H3,22,23,24,25,26).
What are the key properties of 2-(4-methylquinazolin-2-yl)-1-(4-pentoxyphenyl)guanidine?
2-(4-methylquinazolin-2-yl)-1-(4-pentoxyphenyl)guanidine has a molecular weight of 363.47 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylquinazolin-2-yl)-1-(4-pentoxyphenyl)guanidine is sourced from PubChem (CID 58638853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).