2-[4-[[6-methoxy-2-(2-pyridin-2-ylethynyl)quinazolin-4-yl]amino]butyl]guanidine

C21H23N7O — CID 10293712

IUPAC2-[4-[[6-methoxy-2-(2-pyridin-2-ylethynyl)quinazolin-4-yl]amino]butyl]guanidine
SMILESCOc1ccc2nc(C#Cc3ccccn3)nc(NCCCCN=C(N)N)c2c1
InChIInChI=1S/C21H23N7O/c1-29-16-8-9-18-17(14-16)20(25-12-4-5-13-26-21(22)23)28-19(27-18)10-7-15-6-2-3-11-24-15/h2-3,6,8-9,11,14H,4-5,12-13H2,1H3,(H4,22,23,26)(H,25,27,28)
InChIKeyUYUNDEZTKBDQET-UHFFFAOYSA-N
MW389.46 g/mol
LogP1.90
Rot. Bonds7

About 2-[4-[[6-methoxy-2-(2-pyridin-2-ylethynyl)quinazolin-4-yl]amino]butyl]guanidine

2-[4-[[6-methoxy-2-(2-pyridin-2-ylethynyl)quinazolin-4-yl]amino]butyl]guanidine (PubChem CID 10293712) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-[4-[[6-methoxy-2-(2-pyridin-2-ylethynyl)quinazolin-4-yl]amino]butyl]guanidine.

Molecular Properties

Compound Name2-[4-[[6-methoxy-2-(2-pyridin-2-ylethynyl)quinazolin-4-yl]amino]butyl]guanidine
PubChem CID10293712
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name2-[4-[[6-methoxy-2-(2-pyridin-2-ylethynyl)quinazolin-4-yl]amino]butyl]guanidine
SMILESCOc1ccc2nc(C#Cc3ccccn3)nc(NCCCCN=C(N)N)c2c1
InChIInChI=1S/C21H23N7O/c1-29-16-8-9-18-17(14-16)20(25-12-4-5-13-26-21(22)23)28-19(27-18)10-7-15-6-2-3-11-24-15/h2-3,6,8-9,11,14H,4-5,12-13H2,1H3,(H4,22,23,26)(H,25,27,28)
InChIKeyUYUNDEZTKBDQET-UHFFFAOYSA-N
XLogP1.90
TPSA124.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 51.90
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[4-[[6-methoxy-2-(2-pyridin-2-ylethynyl)quinazolin-4-yl]amino]butyl]guanidine with MolForge

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Related Compounds

methyl N'-[6-[[6-methoxy-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]amino]hexyl]-N-phenylcarbamimidothioate
CID 69086474
2-[5-[(6-methoxyquinolin-8-yl)amino]pentyl]guanidine
CID 5160911
N-[4-[2-[2-[2-(diaminomethylideneamino)ethyl]phenyl]ethylamino]-6-methylquinazolin-2-yl]-4-methoxybenzamide;dihydrochloride
CID 68581575
2-[2-[2-[[6-methyl-2-(2-pyridin-2-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethyl]guanidine
CID 69021828
2-[4-[[2-[2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]amino]butyl]guanidine
CID 69022104
dihydroxy(oxo)azanium;2-[3-[(6-methoxyquinolin-8-yl)amino]propyl]guanidine
CID 6331885
2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine
CID 504257
N-[4-(diaminomethylideneamino)butyl]-4-methoxybenzamide;hydrochloride
CID 174646948
N-ethyl-6-methoxy-2-phenylquinazolin-4-amine
CID 64981044
6-methoxy-N-(3-phenylpropyl)-2-piperazin-1-ylquinazolin-4-amine
CID 44532421
2-[(6-methoxyquinazolin-4-yl)amino]ethanol
CID 21002851
(Z)-3-butylimino-1-(4-methoxyphenyl)-3-phenylprop-1-en-1-amine
CID 10968854

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[6-methoxy-2-(2-pyridin-2-ylethynyl)quinazolin-4-yl]amino]butyl]guanidine?
The IUPAC name of 2-[4-[[6-methoxy-2-(2-pyridin-2-ylethynyl)quinazolin-4-yl]amino]butyl]guanidine (CID 10293712) is 2-[4-[[6-methoxy-2-(2-pyridin-2-ylethynyl)quinazolin-4-yl]amino]butyl]guanidine.
What is the SMILES notation for 2-[4-[[6-methoxy-2-(2-pyridin-2-ylethynyl)quinazolin-4-yl]amino]butyl]guanidine?
The canonical SMILES for 2-[4-[[6-methoxy-2-(2-pyridin-2-ylethynyl)quinazolin-4-yl]amino]butyl]guanidine is COc1ccc2nc(C#Cc3ccccn3)nc(NCCCCN=C(N)N)c2c1.
What is the InChIKey of 2-[4-[[6-methoxy-2-(2-pyridin-2-ylethynyl)quinazolin-4-yl]amino]butyl]guanidine?
The InChIKey is UYUNDEZTKBDQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-29-16-8-9-18-17(14-16)20(25-12-4-5-13-26-21(22)23)28-19(27-18)10-7-15-6-2-3-11-24-15/h2-3,6,8-9,11,14H,4-5,12-13H2,1H3,(H4,22,23,26)(H,25,27,28).
What are the key properties of 2-[4-[[6-methoxy-2-(2-pyridin-2-ylethynyl)quinazolin-4-yl]amino]butyl]guanidine?
2-[4-[[6-methoxy-2-(2-pyridin-2-ylethynyl)quinazolin-4-yl]amino]butyl]guanidine has a molecular weight of 389.46 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[6-methoxy-2-(2-pyridin-2-ylethynyl)quinazolin-4-yl]amino]butyl]guanidine is sourced from PubChem (CID 10293712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).