N-(1-benzylindazol-5-yl)-6-(1-methylimidazol-2-yl)quinazolin-4-amine

C26H21N7 — CID 22609765

IUPACN-(1-benzylindazol-5-yl)-6-(1-methylimidazol-2-yl)quinazolin-4-amine
SMILESCn1ccnc1-c1ccc2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c2c1
InChIInChI=1S/C26H21N7/c1-32-12-11-27-26(32)19-7-9-23-22(14-19)25(29-17-28-23)31-21-8-10-24-20(13-21)15-30-33(24)16-18-5-3-2-4-6-18/h2-15,17H,16H2,1H3,(H,28,29,31)
InChIKeyKCQLFQFWEGMJOR-UHFFFAOYSA-N
MW431.50 g/mol
LogP5.17
Rot. Bonds5

About N-(1-benzylindazol-5-yl)-6-(1-methylimidazol-2-yl)quinazolin-4-amine

N-(1-benzylindazol-5-yl)-6-(1-methylimidazol-2-yl)quinazolin-4-amine (PubChem CID 22609765) has the molecular formula C26H21N7 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-(1-benzylindazol-5-yl)-6-(1-methylimidazol-2-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(1-benzylindazol-5-yl)-6-(1-methylimidazol-2-yl)quinazolin-4-amine
PubChem CID22609765
Molecular FormulaC26H21N7
Molecular Weight431.50 g/mol
Exact Mass431.19
IUPAC NameN-(1-benzylindazol-5-yl)-6-(1-methylimidazol-2-yl)quinazolin-4-amine
SMILESCn1ccnc1-c1ccc2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c2c1
InChIInChI=1S/C26H21N7/c1-32-12-11-27-26(32)19-7-9-23-22(14-19)25(29-17-28-23)31-21-8-10-24-20(13-21)15-30-33(24)16-18-5-3-2-4-6-18/h2-15,17H,16H2,1H3,(H,28,29,31)
InChIKeyKCQLFQFWEGMJOR-UHFFFAOYSA-N
XLogP5.17
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.50
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-[(1-benzylindazol-5-yl)amino]quinazolin-6-yl]furan-2-carbaldehyde;hydrochloride
CID 86758083
N-(1-benzylindazol-5-yl)-6-piperidin-1-ylpyrido[3,4-d]pyrimidin-4-amine
CID 22727449
N-(1-benzylindazol-5-yl)-6-[2-(2-methylsulfonylethylamino)ethoxy]quinazolin-4-amine
CID 67564900
4-N-(1-benzylindazol-5-yl)-6-N-[3-(1-oxo-1,4-thiazinan-4-yl)propyl]quinazoline-4,6-diamine
CID 67609255
N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-6-methoxyquinazolin-4-amine
CID 141314754
6-[5-[1-(ethylamino)-2-methylsulfanylethyl]furan-2-yl]-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]quinazolin-4-amine
CID 46219730
6-[5-(1-amino-2-methylsulfonylethyl)-1H-pyrrol-2-yl]-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]quinazolin-4-amine
CID 141226715
N-[[5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]quinazolin-6-yl]furan-2-yl]methylidene]-2-methylpropane-2-sulfinamide
CID 67001647
N-[[5-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]quinazolin-6-yl]furan-2-yl]methyl]prop-2-enamide
CID 71571616
N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-6-[1-[2-(oxan-2-yloxy)ethyl]pyrrol-3-yl]quinazolin-4-amine
CID 143748646
N-(1-benzylindazol-5-yl)-6-[3-(dipropylamino)prop-1-ynyl]thieno[3,2-d]pyrimidin-4-amine
CID 142258290
N-(1-benzylindazol-5-yl)-6-methoxy-7-[3-[methyl(2-methylsulfonylethyl)amino]propoxy]quinazolin-4-amine
CID 67565553

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylindazol-5-yl)-6-(1-methylimidazol-2-yl)quinazolin-4-amine?
The IUPAC name of N-(1-benzylindazol-5-yl)-6-(1-methylimidazol-2-yl)quinazolin-4-amine (CID 22609765) is N-(1-benzylindazol-5-yl)-6-(1-methylimidazol-2-yl)quinazolin-4-amine.
What is the SMILES notation for N-(1-benzylindazol-5-yl)-6-(1-methylimidazol-2-yl)quinazolin-4-amine?
The canonical SMILES for N-(1-benzylindazol-5-yl)-6-(1-methylimidazol-2-yl)quinazolin-4-amine is Cn1ccnc1-c1ccc2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c2c1.
What is the InChIKey of N-(1-benzylindazol-5-yl)-6-(1-methylimidazol-2-yl)quinazolin-4-amine?
The InChIKey is KCQLFQFWEGMJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N7/c1-32-12-11-27-26(32)19-7-9-23-22(14-19)25(29-17-28-23)31-21-8-10-24-20(13-21)15-30-33(24)16-18-5-3-2-4-6-18/h2-15,17H,16H2,1H3,(H,28,29,31).
What are the key properties of N-(1-benzylindazol-5-yl)-6-(1-methylimidazol-2-yl)quinazolin-4-amine?
N-(1-benzylindazol-5-yl)-6-(1-methylimidazol-2-yl)quinazolin-4-amine has a molecular weight of 431.50 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylindazol-5-yl)-6-(1-methylimidazol-2-yl)quinazolin-4-amine is sourced from PubChem (CID 22609765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).