2-[2-[2-[[6-methyl-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethyl]guanidine

C21H25N7O — CID 69021828

IUPAC2-[2-[2-[[6-methyl-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethyl]guanidine
SMILESCc1ccc2nc(C=Cc3ccccn3)nc(NCCOCCN=C(N)N)c2c1
InChIInChI=1S/C21H25N7O/c1-15-5-7-18-17(14-15)20(25-10-12-29-13-11-26-21(22)23)28-19(27-18)8-6-16-4-2-3-9-24-16/h2-9,14H,10-13H2,1H3,(H4,22,23,26)(H,25,27,28)
InChIKeyVROBFADMMXCTGY-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.21
Rot. Bonds9

About 2-[2-[2-[[6-methyl-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethyl]guanidine

2-[2-[2-[[6-methyl-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethyl]guanidine (PubChem CID 69021828) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-[2-[2-[[6-methyl-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethyl]guanidine.

Molecular Properties

Compound Name2-[2-[2-[[6-methyl-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethyl]guanidine
PubChem CID69021828
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name2-[2-[2-[[6-methyl-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethyl]guanidine
SMILESCc1ccc2nc(C=Cc3ccccn3)nc(NCCOCCN=C(N)N)c2c1
InChIInChI=1S/C21H25N7O/c1-15-5-7-18-17(14-15)20(25-10-12-29-13-11-26-21(22)23)28-19(27-18)8-6-16-4-2-3-9-24-16/h2-9,14H,10-13H2,1H3,(H4,22,23,26)(H,25,27,28)
InChIKeyVROBFADMMXCTGY-UHFFFAOYSA-N
XLogP2.21
TPSA124.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

N-[[4-(aminomethyl)phenyl]methyl]-6-methyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-amine
CID 69239625
2-[4-[[2-[2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]amino]butyl]guanidine
CID 69022104
4-N-[6-methyl-2-[(Z)-2-pyridin-2-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine
CID 69239806
(1S,2R,4R)-2-methyl-1-N-[6-methyl-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]cyclohexane-1,4-diamine
CID 69241485
methyl N'-[6-[[6-methoxy-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]amino]hexyl]-N-phenylcarbamimidothioate
CID 69086474
2-[3-[[2-[(E)-2-(4-chlorophenyl)ethenyl]quinazolin-4-yl]amino]propyl]guanidine
CID 22667933
5-[[6-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]quinazolin-4-yl]amino]pentan-2-one
CID 159004026
N-[4-[2-[2-[2-(diaminomethylideneamino)ethyl]phenyl]ethylamino]-6-methylquinazolin-2-yl]-4-methoxybenzamide;dihydrochloride
CID 68581575
2-[2-[[2-(2-pyridin-3-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethanol
CID 54098100
2-[4-[[6-methoxy-2-(2-pyridin-2-ylethynyl)quinazolin-4-yl]amino]butyl]guanidine
CID 10293712
2-[2-[[6-ethynyl-2-(2-pyridin-3-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethanol
CID 54153383
2-[2-[(2-imidazol-1-yl-6-methylquinazolin-4-yl)amino]ethoxy]ethanol
CID 19392307

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[6-methyl-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethyl]guanidine?
The IUPAC name of 2-[2-[2-[[6-methyl-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethyl]guanidine (CID 69021828) is 2-[2-[2-[[6-methyl-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethyl]guanidine.
What is the SMILES notation for 2-[2-[2-[[6-methyl-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethyl]guanidine?
The canonical SMILES for 2-[2-[2-[[6-methyl-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethyl]guanidine is Cc1ccc2nc(C=Cc3ccccn3)nc(NCCOCCN=C(N)N)c2c1.
What is the InChIKey of 2-[2-[2-[[6-methyl-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethyl]guanidine?
The InChIKey is VROBFADMMXCTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c1-15-5-7-18-17(14-15)20(25-10-12-29-13-11-26-21(22)23)28-19(27-18)8-6-16-4-2-3-9-24-16/h2-9,14H,10-13H2,1H3,(H4,22,23,26)(H,25,27,28).
What are the key properties of 2-[2-[2-[[6-methyl-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethyl]guanidine?
2-[2-[2-[[6-methyl-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethyl]guanidine has a molecular weight of 391.48 g/mol, XLogP of 2.21, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[[6-methyl-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethyl]guanidine is sourced from PubChem (CID 69021828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).