N',N'-dimethyl-N-[[6-[(8-methylquinazolin-2-yl)amino]-2H-indazol-3-yl]methyl]ethane-1,2-diamine

C21H25N7 — CID 59615302

IUPACN',N'-dimethyl-N-[[6-[(8-methylquinazolin-2-yl)amino]-2H-indazol-3-yl]methyl]ethane-1,2-diamine
SMILESCc1cccc2cnc(Nc3ccc4c(CNCCN(C)C)[nH]nc4c3)nc12
InChIInChI=1S/C21H25N7/c1-14-5-4-6-15-12-23-21(25-20(14)15)24-16-7-8-17-18(11-16)26-27-19(17)13-22-9-10-28(2)3/h4-8,11-12,22H,9-10,13H2,1-3H3,(H,26,27)(H,23,24,25)
InChIKeyURJWPLOHMVGUDU-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.21
Rot. Bonds7

About N',N'-dimethyl-N-[[6-[(8-methylquinazolin-2-yl)amino]-2H-indazol-3-yl]methyl]ethane-1,2-diamine

N',N'-dimethyl-N-[[6-[(8-methylquinazolin-2-yl)amino]-2H-indazol-3-yl]methyl]ethane-1,2-diamine (PubChem CID 59615302) has the molecular formula C21H25N7 and a molecular weight of 375.48 g/mol. Its IUPAC name is N',N'-dimethyl-N-[[6-[(8-methylquinazolin-2-yl)amino]-2H-indazol-3-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[[6-[(8-methylquinazolin-2-yl)amino]-2H-indazol-3-yl]methyl]ethane-1,2-diamine
PubChem CID59615302
Molecular FormulaC21H25N7
Molecular Weight375.48 g/mol
Exact Mass375.22
IUPAC NameN',N'-dimethyl-N-[[6-[(8-methylquinazolin-2-yl)amino]-2H-indazol-3-yl]methyl]ethane-1,2-diamine
SMILESCc1cccc2cnc(Nc3ccc4c(CNCCN(C)C)[nH]nc4c3)nc12
InChIInChI=1S/C21H25N7/c1-14-5-4-6-15-12-23-21(25-20(14)15)24-16-7-8-17-18(11-16)26-27-19(17)13-22-9-10-28(2)3/h4-8,11-12,22H,9-10,13H2,1-3H3,(H,26,27)(H,23,24,25)
InChIKeyURJWPLOHMVGUDU-UHFFFAOYSA-N
XLogP3.21
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N',N'-dimethyl-N-[[6-[(8-methylquinazolin-2-yl)amino]-2H-indazol-3-yl]methyl]ethane-1,2-diamine with MolForge

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Related Compounds

Ag-24322
CID 135413565
Ko-947
CID 136653617
N6,N6-dimethyl-N4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 6603857
Ldn-212854
CID 60182388
N-(3-bromophenyl)-1H-pyrazolo[4,3-g]quinazolin-5-amine
CID 5328242
N-(3-bromophenyl)-1-methyl-1H-pyrazolo[4,3-g]quinazolin-5-amine
CID 5328280
Pyrazolo[1,5-b]pyridazine deriv. 37
CID 6539379
4-(6-(4-(1-Piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
CID 25195294
N-[4-(dimethylphosphoryl)phenyl]-9-[(E)-2-(5-methyl-1H-indazol-4-yl)ethenyl]-9H-purin-6-amine
CID 44517648
N2-methyl-N4-(pyrimidin-2-ylmethyl)-5-(quinolin-6-yl)-7H-pyrrolo(2,3-d)pyrimidine-2,4-diamine
CID 133082038
N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine
CID 9998128
1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 24905152

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[[6-[(8-methylquinazolin-2-yl)amino]-2H-indazol-3-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[[6-[(8-methylquinazolin-2-yl)amino]-2H-indazol-3-yl]methyl]ethane-1,2-diamine (CID 59615302) is N',N'-dimethyl-N-[[6-[(8-methylquinazolin-2-yl)amino]-2H-indazol-3-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[[6-[(8-methylquinazolin-2-yl)amino]-2H-indazol-3-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[[6-[(8-methylquinazolin-2-yl)amino]-2H-indazol-3-yl]methyl]ethane-1,2-diamine is Cc1cccc2cnc(Nc3ccc4c(CNCCN(C)C)[nH]nc4c3)nc12.
What is the InChIKey of N',N'-dimethyl-N-[[6-[(8-methylquinazolin-2-yl)amino]-2H-indazol-3-yl]methyl]ethane-1,2-diamine?
The InChIKey is URJWPLOHMVGUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7/c1-14-5-4-6-15-12-23-21(25-20(14)15)24-16-7-8-17-18(11-16)26-27-19(17)13-22-9-10-28(2)3/h4-8,11-12,22H,9-10,13H2,1-3H3,(H,26,27)(H,23,24,25).
What are the key properties of N',N'-dimethyl-N-[[6-[(8-methylquinazolin-2-yl)amino]-2H-indazol-3-yl]methyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[[6-[(8-methylquinazolin-2-yl)amino]-2H-indazol-3-yl]methyl]ethane-1,2-diamine has a molecular weight of 375.48 g/mol, XLogP of 3.21, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[[6-[(8-methylquinazolin-2-yl)amino]-2H-indazol-3-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 59615302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).