6,7-dimethoxy-2-methyl-N-[1-(1-methylindazol-4-yl)ethyl]quinazolin-4-amine

C21H23N5O2 — CID 135338436

IUPAC6,7-dimethoxy-2-methyl-N-[1-(1-methylindazol-4-yl)ethyl]quinazolin-4-amine
SMILESCOc1cc2nc(C)nc(NC(C)c3cccc4c3cnn4C)c2cc1OC
InChIInChI=1S/C21H23N5O2/c1-12(14-7-6-8-18-16(14)11-22-26(18)3)23-21-15-9-19(27-4)20(28-5)10-17(15)24-13(2)25-21/h6-12H,1-5H3,(H,23,24,25)
InChIKeyKOIGBYQTYGEGFR-UHFFFAOYSA-N
MW377.45 g/mol
LogP4.02
Rot. Bonds5

About 6,7-dimethoxy-2-methyl-N-[1-(1-methylindazol-4-yl)ethyl]quinazolin-4-amine

6,7-dimethoxy-2-methyl-N-[1-(1-methylindazol-4-yl)ethyl]quinazolin-4-amine (PubChem CID 135338436) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-N-[1-(1-methylindazol-4-yl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-2-methyl-N-[1-(1-methylindazol-4-yl)ethyl]quinazolin-4-amine
PubChem CID135338436
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name6,7-dimethoxy-2-methyl-N-[1-(1-methylindazol-4-yl)ethyl]quinazolin-4-amine
SMILESCOc1cc2nc(C)nc(NC(C)c3cccc4c3cnn4C)c2cc1OC
InChIInChI=1S/C21H23N5O2/c1-12(14-7-6-8-18-16(14)11-22-26(18)3)23-21-15-9-19(27-4)20(28-5)10-17(15)24-13(2)25-21/h6-12H,1-5H3,(H,23,24,25)
InChIKeyKOIGBYQTYGEGFR-UHFFFAOYSA-N
XLogP4.02
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6,7-dimethoxy-2-methyl-N-[1-(2-methylindazol-7-yl)ethyl]quinazolin-4-amine
CID 146197421
N-[1-(4-bromophenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 135336419
6,7-dimethoxy-2-methyl-N-propan-2-ylquinazolin-4-amine
CID 177115997
6,7-dimethoxy-2-methyl-N-[1-(5-methyl-1H-indazol-4-yl)ethyl]quinazolin-4-amine
CID 135336805
N-[1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-methoxy-7-(2-methoxyethoxy)-2-methylquinazolin-4-amine
CID 175443386
4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-6-methoxy-2-methylquinazolin-7-ol
CID 169087318
6,7-dimethoxy-2-methyl-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]quinazolin-4-amine
CID 164824073
N-[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]-6-dimethylphosphoryl-7-methoxy-2-methylquinazolin-4-amine
CID 164568872
7-cyclopropyl-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-methoxy-2-methylquinazolin-4-amine
CID 169087340
N-[(1R)-1-[3-(2-cyclopropylethynyl)phenyl]ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 171051525
N-[(1R)-1-(3-amino-5-methylphenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 174181337
[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]thiophen-2-yl]boronic acid
CID 142432868

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-methyl-N-[1-(1-methylindazol-4-yl)ethyl]quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-2-methyl-N-[1-(1-methylindazol-4-yl)ethyl]quinazolin-4-amine (CID 135338436) is 6,7-dimethoxy-2-methyl-N-[1-(1-methylindazol-4-yl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-2-methyl-N-[1-(1-methylindazol-4-yl)ethyl]quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-2-methyl-N-[1-(1-methylindazol-4-yl)ethyl]quinazolin-4-amine is COc1cc2nc(C)nc(NC(C)c3cccc4c3cnn4C)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-methyl-N-[1-(1-methylindazol-4-yl)ethyl]quinazolin-4-amine?
The InChIKey is KOIGBYQTYGEGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-12(14-7-6-8-18-16(14)11-22-26(18)3)23-21-15-9-19(27-4)20(28-5)10-17(15)24-13(2)25-21/h6-12H,1-5H3,(H,23,24,25).
What are the key properties of 6,7-dimethoxy-2-methyl-N-[1-(1-methylindazol-4-yl)ethyl]quinazolin-4-amine?
6,7-dimethoxy-2-methyl-N-[1-(1-methylindazol-4-yl)ethyl]quinazolin-4-amine has a molecular weight of 377.45 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-methyl-N-[1-(1-methylindazol-4-yl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 135338436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).