N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-benzofuran-6-carboxamide

C21H15N5O2 — CID 138590788

IUPACN-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-benzofuran-6-carboxamide
SMILESCn1cc(-c2ccc3cnc(NC(=O)c4ccc5ccoc5c4)nc3c2)cn1
InChIInChI=1S/C21H15N5O2/c1-26-12-17(11-23-26)14-3-5-16-10-22-21(24-18(16)8-14)25-20(27)15-4-2-13-6-7-28-19(13)9-15/h2-12H,1H3,(H,22,24,25,27)
InChIKeyFTDZZCPJZOMFGQ-UHFFFAOYSA-N
MW369.38 g/mol
LogP4.03
Rot. Bonds3

About N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-benzofuran-6-carboxamide

N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-benzofuran-6-carboxamide (PubChem CID 138590788) has the molecular formula C21H15N5O2 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-benzofuran-6-carboxamide.

Molecular Properties

Compound NameN-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-benzofuran-6-carboxamide
PubChem CID138590788
Molecular FormulaC21H15N5O2
Molecular Weight369.38 g/mol
Exact Mass369.12
IUPAC NameN-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-benzofuran-6-carboxamide
SMILESCn1cc(-c2ccc3cnc(NC(=O)c4ccc5ccoc5c4)nc3c2)cn1
InChIInChI=1S/C21H15N5O2/c1-26-12-17(11-23-26)14-3-5-16-10-22-21(24-18(16)8-14)25-20(27)15-4-2-13-6-7-28-19(13)9-15/h2-12H,1H3,(H,22,24,25,27)
InChIKeyFTDZZCPJZOMFGQ-UHFFFAOYSA-N
XLogP4.03
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(dimethylamino)ethylamino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138587369
2-(azetidin-3-yloxy)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138587826
2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138589294
N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-piperidin-4-yloxypyridine-4-carboxamide
CID 138587595
2-(2,7-diazaspiro[3.5]nonan-7-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138588324
2-[4-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138588228
N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-(2,2,5,5-tetradeuteriopyrrolidin-1-yl)acetamide
CID 138587907
(2S)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-pyrrolidin-1-ylpropanamide
CID 138591844
2-(4-hydroxypiperidin-1-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]acetamide
CID 138587464
2-(6-azaspiro[2.5]octan-6-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]acetamide
CID 138589175
N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-benzofuran-5-carboxamide
CID 138587643
2-[3-(dimethylamino)azetidin-1-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1,3-thiazole-5-carboxamide
CID 138588725

Frequently Asked Questions

What is the IUPAC name of N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-benzofuran-6-carboxamide?
The IUPAC name of N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-benzofuran-6-carboxamide (CID 138590788) is N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-benzofuran-6-carboxamide.
What is the SMILES notation for N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-benzofuran-6-carboxamide?
The canonical SMILES for N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-benzofuran-6-carboxamide is Cn1cc(-c2ccc3cnc(NC(=O)c4ccc5ccoc5c4)nc3c2)cn1.
What is the InChIKey of N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-benzofuran-6-carboxamide?
The InChIKey is FTDZZCPJZOMFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O2/c1-26-12-17(11-23-26)14-3-5-16-10-22-21(24-18(16)8-14)25-20(27)15-4-2-13-6-7-28-19(13)9-15/h2-12H,1H3,(H,22,24,25,27).
What are the key properties of N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-benzofuran-6-carboxamide?
N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-benzofuran-6-carboxamide has a molecular weight of 369.38 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-benzofuran-6-carboxamide is sourced from PubChem (CID 138590788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).