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

C24H23N5O2S — CID 135336439

IUPACN-[1-[5-(1H-indazol-7-yl)thiophen-2-yl]ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
SMILESCOc1cc2nc(C)nc(NC(C)c3ccc(-c4cccc5cn[nH]c45)s3)c2cc1OC
InChIInChI=1S/C24H23N5O2S/c1-13(21-8-9-22(32-21)16-7-5-6-15-12-25-29-23(15)16)26-24-17-10-19(30-3)20(31-4)11-18(17)27-14(2)28-24/h5-13H,1-4H3,(H,25,29)(H,26,27,28)
InChIKeyRVNDDHQUSZMXTJ-UHFFFAOYSA-N
MW445.55 g/mol
LogP5.73
Rot. Bonds6

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

N-[1-[5-(1H-indazol-7-yl)thiophen-2-yl]ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine (PubChem CID 135336439) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is N-[1-[5-(1H-indazol-7-yl)thiophen-2-yl]ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-[1-[5-(1H-indazol-7-yl)thiophen-2-yl]ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
PubChem CID135336439
Molecular FormulaC24H23N5O2S
Molecular Weight445.55 g/mol
Exact Mass445.16
IUPAC NameN-[1-[5-(1H-indazol-7-yl)thiophen-2-yl]ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
SMILESCOc1cc2nc(C)nc(NC(C)c3ccc(-c4cccc5cn[nH]c45)s3)c2cc1OC
InChIInChI=1S/C24H23N5O2S/c1-13(21-8-9-22(32-21)16-7-5-6-15-12-25-29-23(15)16)26-24-17-10-19(30-3)20(31-4)11-18(17)27-14(2)28-24/h5-13H,1-4H3,(H,25,29)(H,26,27,28)
InChIKeyRVNDDHQUSZMXTJ-UHFFFAOYSA-N
XLogP5.73
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.55
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(1H-indazol-7-yl)thiophen-2-yl]ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine?
The IUPAC name of N-[1-[5-(1H-indazol-7-yl)thiophen-2-yl]ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine (CID 135336439) is N-[1-[5-(1H-indazol-7-yl)thiophen-2-yl]ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine.
What is the SMILES notation for N-[1-[5-(1H-indazol-7-yl)thiophen-2-yl]ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine?
The canonical SMILES for N-[1-[5-(1H-indazol-7-yl)thiophen-2-yl]ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine is COc1cc2nc(C)nc(NC(C)c3ccc(-c4cccc5cn[nH]c45)s3)c2cc1OC.
What is the InChIKey of N-[1-[5-(1H-indazol-7-yl)thiophen-2-yl]ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine?
The InChIKey is RVNDDHQUSZMXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2S/c1-13(21-8-9-22(32-21)16-7-5-6-15-12-25-29-23(15)16)26-24-17-10-19(30-3)20(31-4)11-18(17)27-14(2)28-24/h5-13H,1-4H3,(H,25,29)(H,26,27,28).
What are the key properties of N-[1-[5-(1H-indazol-7-yl)thiophen-2-yl]ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine?
N-[1-[5-(1H-indazol-7-yl)thiophen-2-yl]ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine has a molecular weight of 445.55 g/mol, XLogP of 5.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(1H-indazol-7-yl)thiophen-2-yl]ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine is sourced from PubChem (CID 135336439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).