2-[[2-[(4-amino-1H-indazol-6-yl)amino]-8-methylquinazolin-7-yl]amino]ethanol

C18H19N7O — CID 59615316

IUPAC2-[[2-[(4-amino-1H-indazol-6-yl)amino]-8-methylquinazolin-7-yl]amino]ethanol
SMILESCc1c(NCCO)ccc2cnc(Nc3cc(N)c4cn[nH]c4c3)nc12
InChIInChI=1S/C18H19N7O/c1-10-15(20-4-5-26)3-2-11-8-21-18(24-17(10)11)23-12-6-14(19)13-9-22-25-16(13)7-12/h2-3,6-9,20,26H,4-5,19H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyQKWBIFGEADAHQZ-UHFFFAOYSA-N
MW349.40 g/mol
LogP2.54
Rot. Bonds5

About 2-[[2-[(4-amino-1H-indazol-6-yl)amino]-8-methylquinazolin-7-yl]amino]ethanol

2-[[2-[(4-amino-1H-indazol-6-yl)amino]-8-methylquinazolin-7-yl]amino]ethanol (PubChem CID 59615316) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is 2-[[2-[(4-amino-1H-indazol-6-yl)amino]-8-methylquinazolin-7-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-[(4-amino-1H-indazol-6-yl)amino]-8-methylquinazolin-7-yl]amino]ethanol
PubChem CID59615316
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name2-[[2-[(4-amino-1H-indazol-6-yl)amino]-8-methylquinazolin-7-yl]amino]ethanol
SMILESCc1c(NCCO)ccc2cnc(Nc3cc(N)c4cn[nH]c4c3)nc12
InChIInChI=1S/C18H19N7O/c1-10-15(20-4-5-26)3-2-11-8-21-18(24-17(10)11)23-12-6-14(19)13-9-22-25-16(13)7-12/h2-3,6-9,20,26H,4-5,19H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyQKWBIFGEADAHQZ-UHFFFAOYSA-N
XLogP2.54
TPSA124.77 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromophenyl)-1H-pyrazolo[4,3-g]quinazolin-5-amine
CID 5328242
N-(1H-indazol-5-yl)-N'-[2-(1H-indol-3-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine
CID 10111591
N2-(2,6-dimorpholinopyridin-4-yl)-N4-(1H-indazol-4-yl)-N4-methylpyrimidine-2,4-diamine
CID 42645046
4-(4-(5-(1-Methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl)pyridin-2-yl)morpholine
CID 90401078
N-((1R)-1-phenylethyl)-6-(1H-pyrazolo(3,4-d)pyrimidin-4-yl)quinazolin-2-amine
CID 135281127
3-{5-[(3-bromophenyl)amino]-1H-pyrazolo[4,3-g]quinazolin-1-yl}propane-1,2-diol
CID 5328281
2-[({4-[(3-bromophenyl)amino]-8H-pyrrolo[3,2-g]quinazolin-6-yl}methyl)(2-hydroxyethyl)amino]ethan-1-ol
CID 5328292
N~1~-[2-(1h-Indazol-5-Yl)pyrido[3,4-D]pyrimidin-4-Yl]-2-Methylpropane-1,2-Diamine
CID 78673872
2-({4-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-yl}amino)-2-methylpropan-1-ol
CID 11381333
3-(1h-Indazol-4-Yl{2-[(1-Methyl-1h-Indazol-5-Yl)amino]pyrimidin-4-Yl}amino)propan-1-Ol
CID 24751024
4-(4-methylpiperazin-1-yl)-N-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]quinolin-7-amine
CID 164610267
2-[[4-[(1-Benzylindazol-5-yl)amino]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol
CID 9954156

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-amino-1H-indazol-6-yl)amino]-8-methylquinazolin-7-yl]amino]ethanol?
The IUPAC name of 2-[[2-[(4-amino-1H-indazol-6-yl)amino]-8-methylquinazolin-7-yl]amino]ethanol (CID 59615316) is 2-[[2-[(4-amino-1H-indazol-6-yl)amino]-8-methylquinazolin-7-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-[(4-amino-1H-indazol-6-yl)amino]-8-methylquinazolin-7-yl]amino]ethanol?
The canonical SMILES for 2-[[2-[(4-amino-1H-indazol-6-yl)amino]-8-methylquinazolin-7-yl]amino]ethanol is Cc1c(NCCO)ccc2cnc(Nc3cc(N)c4cn[nH]c4c3)nc12.
What is the InChIKey of 2-[[2-[(4-amino-1H-indazol-6-yl)amino]-8-methylquinazolin-7-yl]amino]ethanol?
The InChIKey is QKWBIFGEADAHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c1-10-15(20-4-5-26)3-2-11-8-21-18(24-17(10)11)23-12-6-14(19)13-9-22-25-16(13)7-12/h2-3,6-9,20,26H,4-5,19H2,1H3,(H,22,25)(H,21,23,24).
What are the key properties of 2-[[2-[(4-amino-1H-indazol-6-yl)amino]-8-methylquinazolin-7-yl]amino]ethanol?
2-[[2-[(4-amino-1H-indazol-6-yl)amino]-8-methylquinazolin-7-yl]amino]ethanol has a molecular weight of 349.40 g/mol, XLogP of 2.54, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-amino-1H-indazol-6-yl)amino]-8-methylquinazolin-7-yl]amino]ethanol is sourced from PubChem (CID 59615316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).