6,7-dimethoxy-2-methyl-N-[1-(5-methyl-1H-indazol-4-yl)ethyl]quinazolin-4-amine

C21H23N5O2 — CID 135336805

IUPAC6,7-dimethoxy-2-methyl-N-[1-(5-methyl-1H-indazol-4-yl)ethyl]quinazolin-4-amine
SMILESCOc1cc2nc(C)nc(NC(C)c3c(C)ccc4[nH]ncc34)c2cc1OC
InChIInChI=1S/C21H23N5O2/c1-11-6-7-16-15(10-22-26-16)20(11)12(2)23-21-14-8-18(27-4)19(28-5)9-17(14)24-13(3)25-21/h6-10,12H,1-5H3,(H,22,26)(H,23,24,25)
InChIKeyZCXCGTCKSRJETK-UHFFFAOYSA-N
MW377.45 g/mol
LogP4.31
Rot. Bonds5

About 6,7-dimethoxy-2-methyl-N-[1-(5-methyl-1H-indazol-4-yl)ethyl]quinazolin-4-amine

6,7-dimethoxy-2-methyl-N-[1-(5-methyl-1H-indazol-4-yl)ethyl]quinazolin-4-amine (PubChem CID 135336805) 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-(5-methyl-1H-indazol-4-yl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-2-methyl-N-[1-(5-methyl-1H-indazol-4-yl)ethyl]quinazolin-4-amine
PubChem CID135336805
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name6,7-dimethoxy-2-methyl-N-[1-(5-methyl-1H-indazol-4-yl)ethyl]quinazolin-4-amine
SMILESCOc1cc2nc(C)nc(NC(C)c3c(C)ccc4[nH]ncc34)c2cc1OC
InChIInChI=1S/C21H23N5O2/c1-11-6-7-16-15(10-22-26-16)20(11)12(2)23-21-14-8-18(27-4)19(28-5)9-17(14)24-13(3)25-21/h6-10,12H,1-5H3,(H,22,26)(H,23,24,25)
InChIKeyZCXCGTCKSRJETK-UHFFFAOYSA-N
XLogP4.31
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-dimethoxy-2-methyl-N-propan-2-ylquinazolin-4-amine
CID 177115997
N-(1H-indazol-5-yl)-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 58664274
N-[1-(4-bromophenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 135336419
6,7-dimethoxy-2-methyl-N-[1-(1-methylindazol-4-yl)ethyl]quinazolin-4-amine
CID 135338436
N-[1-(1H-indazol-4-yl)ethyl]-6-methoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine;methane
CID 167652006
[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]thiophen-2-yl]boronic acid
CID 142432868
6,7-dimethoxy-2-methyl-N-[1-(2-methylindazol-7-yl)ethyl]quinazolin-4-amine
CID 146197421
N-[(1R)-1-(3-amino-5-methylphenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 174181337
6,7-dimethoxy-2-methyl-N-[1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]ethyl]quinazolin-4-amine
CID 135336427
6,7-dimethoxy-2-methyl-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]quinazolin-4-amine
CID 164824073
7-methoxy-2-methyl-4-[[(1R)-1-[3-(1H-pyrazol-4-yl)phenyl]ethyl]amino]quinazolin-6-ol
CID 135336440
6,7-dimethoxy-2-methyl-N-[1-[5-[(E)-2-phenylethenyl]thiophen-2-yl]ethyl]quinazolin-4-amine
CID 142433044

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-methyl-N-[1-(5-methyl-1H-indazol-4-yl)ethyl]quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-2-methyl-N-[1-(5-methyl-1H-indazol-4-yl)ethyl]quinazolin-4-amine (CID 135336805) is 6,7-dimethoxy-2-methyl-N-[1-(5-methyl-1H-indazol-4-yl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-2-methyl-N-[1-(5-methyl-1H-indazol-4-yl)ethyl]quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-2-methyl-N-[1-(5-methyl-1H-indazol-4-yl)ethyl]quinazolin-4-amine is COc1cc2nc(C)nc(NC(C)c3c(C)ccc4[nH]ncc34)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-methyl-N-[1-(5-methyl-1H-indazol-4-yl)ethyl]quinazolin-4-amine?
The InChIKey is ZCXCGTCKSRJETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-11-6-7-16-15(10-22-26-16)20(11)12(2)23-21-14-8-18(27-4)19(28-5)9-17(14)24-13(3)25-21/h6-10,12H,1-5H3,(H,22,26)(H,23,24,25).
What are the key properties of 6,7-dimethoxy-2-methyl-N-[1-(5-methyl-1H-indazol-4-yl)ethyl]quinazolin-4-amine?
6,7-dimethoxy-2-methyl-N-[1-(5-methyl-1H-indazol-4-yl)ethyl]quinazolin-4-amine has a molecular weight of 377.45 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-methyl-N-[1-(5-methyl-1H-indazol-4-yl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 135336805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).