3-[2-[N'-(2-amino-8-methoxyquinazolin-4-yl)carbamimidoyl]cyclopropyl]-N-methylbenzamide

C21H22N6O2 — CID 169151088

IUPAC3-[2-[N'-(2-amino-8-methoxyquinazolin-4-yl)carbamimidoyl]cyclopropyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(C2CC2/C(N)=N/c2nc(N)nc3c(OC)cccc23)c1
InChIInChI=1S/C21H22N6O2/c1-24-20(28)12-6-3-5-11(9-12)14-10-15(14)18(22)26-19-13-7-4-8-16(29-2)17(13)25-21(23)27-19/h3-9,14-15H,10H2,1-2H3,(H,24,28)(H4,22,23,25,26,27)
InChIKeyLZPYSBZBSALZJJ-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.37
Rot. Bonds5

About 3-[2-[N'-(2-amino-8-methoxyquinazolin-4-yl)carbamimidoyl]cyclopropyl]-N-methylbenzamide

3-[2-[N'-(2-amino-8-methoxyquinazolin-4-yl)carbamimidoyl]cyclopropyl]-N-methylbenzamide (PubChem CID 169151088) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 3-[2-[N'-(2-amino-8-methoxyquinazolin-4-yl)carbamimidoyl]cyclopropyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[2-[N'-(2-amino-8-methoxyquinazolin-4-yl)carbamimidoyl]cyclopropyl]-N-methylbenzamide
PubChem CID169151088
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name3-[2-[N'-(2-amino-8-methoxyquinazolin-4-yl)carbamimidoyl]cyclopropyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(C2CC2/C(N)=N/c2nc(N)nc3c(OC)cccc23)c1
InChIInChI=1S/C21H22N6O2/c1-24-20(28)12-6-3-5-11(9-12)14-10-15(14)18(22)26-19-13-7-4-8-16(29-2)17(13)25-21(23)27-19/h3-9,14-15H,10H2,1-2H3,(H,24,28)(H4,22,23,25,26,27)
InChIKeyLZPYSBZBSALZJJ-UHFFFAOYSA-N
XLogP2.37
TPSA128.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[2-[N'-(2-amino-8-methoxyquinazolin-4-yl)carbamimidoyl]cyclopropyl]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
1-(2-amino-8-methoxyquinazolin-4-yl)ethanone
CID 105470785
N'-(2-amino-8-methoxyquinazolin-4-yl)-3-(azepan-1-yl)-2,2-dimethylpropanimidamide
CID 123295175
methyl 3-(2-methoxycarbonylcyclopropyl)benzoate
CID 175336180
4-[[(4-amino-8-methoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide
CID 54080981
2-amino-8-methoxy-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
CID 122444945
cis-methyl (1S,2R)-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylate
CID 125470953
4-ethyl-8-methoxyquinazolin-2-amine
CID 105455342
2-amino-8-methoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide
CID 122485352
[2-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]cyclopropyl] carbamate
CID 118378788
4-amino-3-hydroxy-N-naphthalen-1-ylnaphthalene-2-carboxamide;3-amino-4-methoxy-N-methylbenzamide
CID 145216655

Frequently Asked Questions

What is the IUPAC name of 3-[2-[N'-(2-amino-8-methoxyquinazolin-4-yl)carbamimidoyl]cyclopropyl]-N-methylbenzamide?
The IUPAC name of 3-[2-[N'-(2-amino-8-methoxyquinazolin-4-yl)carbamimidoyl]cyclopropyl]-N-methylbenzamide (CID 169151088) is 3-[2-[N'-(2-amino-8-methoxyquinazolin-4-yl)carbamimidoyl]cyclopropyl]-N-methylbenzamide.
What is the SMILES notation for 3-[2-[N'-(2-amino-8-methoxyquinazolin-4-yl)carbamimidoyl]cyclopropyl]-N-methylbenzamide?
The canonical SMILES for 3-[2-[N'-(2-amino-8-methoxyquinazolin-4-yl)carbamimidoyl]cyclopropyl]-N-methylbenzamide is CNC(=O)c1cccc(C2CC2/C(N)=N/c2nc(N)nc3c(OC)cccc23)c1.
What is the InChIKey of 3-[2-[N'-(2-amino-8-methoxyquinazolin-4-yl)carbamimidoyl]cyclopropyl]-N-methylbenzamide?
The InChIKey is LZPYSBZBSALZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-24-20(28)12-6-3-5-11(9-12)14-10-15(14)18(22)26-19-13-7-4-8-16(29-2)17(13)25-21(23)27-19/h3-9,14-15H,10H2,1-2H3,(H,24,28)(H4,22,23,25,26,27).
What are the key properties of 3-[2-[N'-(2-amino-8-methoxyquinazolin-4-yl)carbamimidoyl]cyclopropyl]-N-methylbenzamide?
3-[2-[N'-(2-amino-8-methoxyquinazolin-4-yl)carbamimidoyl]cyclopropyl]-N-methylbenzamide has a molecular weight of 390.45 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[N'-(2-amino-8-methoxyquinazolin-4-yl)carbamimidoyl]cyclopropyl]-N-methylbenzamide is sourced from PubChem (CID 169151088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).