N'-(2-amino-8-methoxyquinazolin-4-yl)-3-(azepan-1-yl)-2,2-dimethylpropanimidamide

C20H30N6O — CID 123295175

IUPACN'-(2-amino-8-methoxyquinazolin-4-yl)-3-(azepan-1-yl)-2,2-dimethylpropanimidamide
SMILESCOc1cccc2c(/N=C(\N)C(C)(C)CN3CCCCCC3)nc(N)nc12
InChIInChI=1S/C20H30N6O/c1-20(2,13-26-11-6-4-5-7-12-26)18(21)24-17-14-9-8-10-15(27-3)16(14)23-19(22)25-17/h8-10H,4-7,11-13H2,1-3H3,(H4,21,22,23,24,25)
InChIKeyRCAQOROYPZFHCK-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.11
Rot. Bonds5

About N'-(2-amino-8-methoxyquinazolin-4-yl)-3-(azepan-1-yl)-2,2-dimethylpropanimidamide

N'-(2-amino-8-methoxyquinazolin-4-yl)-3-(azepan-1-yl)-2,2-dimethylpropanimidamide (PubChem CID 123295175) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is N'-(2-amino-8-methoxyquinazolin-4-yl)-3-(azepan-1-yl)-2,2-dimethylpropanimidamide.

Molecular Properties

Compound NameN'-(2-amino-8-methoxyquinazolin-4-yl)-3-(azepan-1-yl)-2,2-dimethylpropanimidamide
PubChem CID123295175
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC NameN'-(2-amino-8-methoxyquinazolin-4-yl)-3-(azepan-1-yl)-2,2-dimethylpropanimidamide
SMILESCOc1cccc2c(/N=C(\N)C(C)(C)CN3CCCCCC3)nc(N)nc12
InChIInChI=1S/C20H30N6O/c1-20(2,13-26-11-6-4-5-7-12-26)18(21)24-17-14-9-8-10-15(27-3)16(14)23-19(22)25-17/h8-10H,4-7,11-13H2,1-3H3,(H4,21,22,23,24,25)
InChIKeyRCAQOROYPZFHCK-UHFFFAOYSA-N
XLogP3.11
TPSA102.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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
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)-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]cyclopropane-1-carboximidamide
CID 169150796
N'-(2-amino-8-methoxyquinazolin-4-yl)-2-[4,5-bis(ethenyl)-1-methylimidazol-2-yl]cyclopropane-1-carboximidamide
CID 169150948
4-ethyl-8-methoxyquinazolin-2-amine
CID 105455342
3-[2-[N'-(2-amino-8-methoxyquinazolin-4-yl)carbamimidoyl]cyclopropyl]-N-methylbenzamide
CID 169151088
1-(2-amino-8-methoxyquinazolin-4-yl)ethanone
CID 105470785
(2S)-2-[6-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-oxidopyridin-1-ium-2-yl]-1,1,1-trifluoropropan-2-ol
CID 146423025
1-(cyclopentylmethyl)piperidine;7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 145231084
8-methoxy-4-N-[(2-methylphenyl)methyl]quinazoline-2,4-diamine
CID 19988693
1-(2,2-dimethyl-3-piperidin-1-ylpropyl)-4-(2-methoxyphenyl)piperidin-4-ol
CID 46965801

Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-8-methoxyquinazolin-4-yl)-3-(azepan-1-yl)-2,2-dimethylpropanimidamide?
The IUPAC name of N'-(2-amino-8-methoxyquinazolin-4-yl)-3-(azepan-1-yl)-2,2-dimethylpropanimidamide (CID 123295175) is N'-(2-amino-8-methoxyquinazolin-4-yl)-3-(azepan-1-yl)-2,2-dimethylpropanimidamide.
What is the SMILES notation for N'-(2-amino-8-methoxyquinazolin-4-yl)-3-(azepan-1-yl)-2,2-dimethylpropanimidamide?
The canonical SMILES for N'-(2-amino-8-methoxyquinazolin-4-yl)-3-(azepan-1-yl)-2,2-dimethylpropanimidamide is COc1cccc2c(/N=C(\N)C(C)(C)CN3CCCCCC3)nc(N)nc12.
What is the InChIKey of N'-(2-amino-8-methoxyquinazolin-4-yl)-3-(azepan-1-yl)-2,2-dimethylpropanimidamide?
The InChIKey is RCAQOROYPZFHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-20(2,13-26-11-6-4-5-7-12-26)18(21)24-17-14-9-8-10-15(27-3)16(14)23-19(22)25-17/h8-10H,4-7,11-13H2,1-3H3,(H4,21,22,23,24,25).
What are the key properties of N'-(2-amino-8-methoxyquinazolin-4-yl)-3-(azepan-1-yl)-2,2-dimethylpropanimidamide?
N'-(2-amino-8-methoxyquinazolin-4-yl)-3-(azepan-1-yl)-2,2-dimethylpropanimidamide has a molecular weight of 370.50 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-amino-8-methoxyquinazolin-4-yl)-3-(azepan-1-yl)-2,2-dimethylpropanimidamide is sourced from PubChem (CID 123295175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).