N'-(2-amino-8-methoxyquinazolin-4-yl)-2-[4,5-bis(ethenyl)-1-methylimidazol-2-yl]cyclopropane-1-carboximidamide

C21H23N7O — CID 169150948

IUPACN'-(2-amino-8-methoxyquinazolin-4-yl)-2-[4,5-bis(ethenyl)-1-methylimidazol-2-yl]cyclopropane-1-carboximidamide
SMILESC=Cc1nc(C2CC2/C(N)=N/c2nc(N)nc3c(OC)cccc23)n(C)c1C=C
InChIInChI=1S/C21H23N7O/c1-5-14-15(6-2)28(3)20(24-14)13-10-12(13)18(22)26-19-11-8-7-9-16(29-4)17(11)25-21(23)27-19/h5-9,12-13H,1-2,10H2,3-4H3,(H4,22,23,25,26,27)
InChIKeyIZLJHACNKWALLB-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.03
Rot. Bonds6

About N'-(2-amino-8-methoxyquinazolin-4-yl)-2-[4,5-bis(ethenyl)-1-methylimidazol-2-yl]cyclopropane-1-carboximidamide

N'-(2-amino-8-methoxyquinazolin-4-yl)-2-[4,5-bis(ethenyl)-1-methylimidazol-2-yl]cyclopropane-1-carboximidamide (PubChem CID 169150948) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is N'-(2-amino-8-methoxyquinazolin-4-yl)-2-[4,5-bis(ethenyl)-1-methylimidazol-2-yl]cyclopropane-1-carboximidamide.

Molecular Properties

Compound NameN'-(2-amino-8-methoxyquinazolin-4-yl)-2-[4,5-bis(ethenyl)-1-methylimidazol-2-yl]cyclopropane-1-carboximidamide
PubChem CID169150948
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC NameN'-(2-amino-8-methoxyquinazolin-4-yl)-2-[4,5-bis(ethenyl)-1-methylimidazol-2-yl]cyclopropane-1-carboximidamide
SMILESC=Cc1nc(C2CC2/C(N)=N/c2nc(N)nc3c(OC)cccc23)n(C)c1C=C
InChIInChI=1S/C21H23N7O/c1-5-14-15(6-2)28(3)20(24-14)13-10-12(13)18(22)26-19-11-8-7-9-16(29-4)17(11)25-21(23)27-19/h5-9,12-13H,1-2,10H2,3-4H3,(H4,22,23,25,26,27)
InChIKeyIZLJHACNKWALLB-UHFFFAOYSA-N
XLogP3.03
TPSA117.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

3-[2-[N'-(2-amino-8-methoxyquinazolin-4-yl)carbamimidoyl]cyclopropyl]-N-methylbenzamide
CID 169151088
N'-(2-amino-8-methoxyquinazolin-4-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]cyclopropane-1-carboximidamide
CID 169150796
N'-(2-amino-8-methoxyquinazolin-4-yl)-3-(azepan-1-yl)-2,2-dimethylpropanimidamide
CID 123295175
3-[6-(2-amino-1,1-difluoropropan-2-yl)-3-pyridinyl]-N'-(2-amino-8-methoxyquinazolin-4-yl)cyclobutane-1-carboximidamide
CID 169150784
N'-(2-amino-8-methoxyquinazolin-4-yl)-3-[2-(2-iminoethyl)-5,6-dihydro-4H-pyrimidin-1-yl]propanimidamide
CID 123395496
N'-(2-amino-8-methoxyquinazolin-4-yl)-2-[7-(1-hydroxyethylamino)-3,4-dihydro-1H-isoquinolin-2-yl]ethanimidamide
CID 123483691
1-(2-amino-8-methoxyquinazolin-4-yl)ethanone
CID 105470785
4-ethyl-8-methoxyquinazolin-2-amine
CID 105455342
N'-(2-amino-8-methoxyquinazolin-4-yl)methanimidamide;1-(6-cyclobutyl-3-pyridinyl)-2,2-difluoroethanamine
CID 169150735
(3R)-N-(2-amino-8-methoxyquinazolin-4-yl)-3-hydroxypentanehydrazide
CID 174215466
(NZ)-N-[2-amino-7-(2,6-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 87290823
7-methoxy-2-methylindazol-3-amine
CID 177108697

Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-8-methoxyquinazolin-4-yl)-2-[4,5-bis(ethenyl)-1-methylimidazol-2-yl]cyclopropane-1-carboximidamide?
The IUPAC name of N'-(2-amino-8-methoxyquinazolin-4-yl)-2-[4,5-bis(ethenyl)-1-methylimidazol-2-yl]cyclopropane-1-carboximidamide (CID 169150948) is N'-(2-amino-8-methoxyquinazolin-4-yl)-2-[4,5-bis(ethenyl)-1-methylimidazol-2-yl]cyclopropane-1-carboximidamide.
What is the SMILES notation for N'-(2-amino-8-methoxyquinazolin-4-yl)-2-[4,5-bis(ethenyl)-1-methylimidazol-2-yl]cyclopropane-1-carboximidamide?
The canonical SMILES for N'-(2-amino-8-methoxyquinazolin-4-yl)-2-[4,5-bis(ethenyl)-1-methylimidazol-2-yl]cyclopropane-1-carboximidamide is C=Cc1nc(C2CC2/C(N)=N/c2nc(N)nc3c(OC)cccc23)n(C)c1C=C.
What is the InChIKey of N'-(2-amino-8-methoxyquinazolin-4-yl)-2-[4,5-bis(ethenyl)-1-methylimidazol-2-yl]cyclopropane-1-carboximidamide?
The InChIKey is IZLJHACNKWALLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-5-14-15(6-2)28(3)20(24-14)13-10-12(13)18(22)26-19-11-8-7-9-16(29-4)17(11)25-21(23)27-19/h5-9,12-13H,1-2,10H2,3-4H3,(H4,22,23,25,26,27).
What are the key properties of N'-(2-amino-8-methoxyquinazolin-4-yl)-2-[4,5-bis(ethenyl)-1-methylimidazol-2-yl]cyclopropane-1-carboximidamide?
N'-(2-amino-8-methoxyquinazolin-4-yl)-2-[4,5-bis(ethenyl)-1-methylimidazol-2-yl]cyclopropane-1-carboximidamide has a molecular weight of 389.46 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-amino-8-methoxyquinazolin-4-yl)-2-[4,5-bis(ethenyl)-1-methylimidazol-2-yl]cyclopropane-1-carboximidamide is sourced from PubChem (CID 169150948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).