2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone

C23H21N5O — CID 159741328

IUPAC2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone
SMILESCn1cc(-c2ccc3cnc(CC(=O)c4ccc5c(c4)CCNC5)nc3c2)cn1
InChIInChI=1S/C23H21N5O/c1-28-14-20(13-26-28)15-2-5-19-12-25-23(27-21(19)9-15)10-22(29)17-3-4-18-11-24-7-6-16(18)8-17/h2-5,8-9,12-14,24H,6-7,10-11H2,1H3
InChIKeyNCMNDAYWFRSHBM-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.10
Rot. Bonds4

About 2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone

2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone (PubChem CID 159741328) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone.

Molecular Properties

Compound Name2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone
PubChem CID159741328
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone
SMILESCn1cc(-c2ccc3cnc(CC(=O)c4ccc5c(c4)CCNC5)nc3c2)cn1
InChIInChI=1S/C23H21N5O/c1-28-14-20(13-26-28)15-2-5-19-12-25-23(27-21(19)9-15)10-22(29)17-3-4-18-11-24-7-6-16(18)8-17/h2-5,8-9,12-14,24H,6-7,10-11H2,1H3
InChIKeyNCMNDAYWFRSHBM-UHFFFAOYSA-N
XLogP3.10
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone with MolForge

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Related Compounds

2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 162233590
2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 159117959
1-[3-methyl-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone
CID 159300631
1-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone
CID 147845265
1-(4,4-difluorocyclohexyl)-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone
CID 147773317
2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 158788980
1-(4-methylpiperidin-1-yl)-3-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]propan-2-one
CID 152879645
2-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(1-piperidin-4-ylpyrazol-4-yl)ethanone
CID 161155685
2,2,2-trifluoro-1-[6-[2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]acetyl]-2-azaspiro[3.3]heptan-2-yl]ethanone
CID 162225541
1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone
CID 159367015
2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(2,3,5,6-tetradeuterio-4-methylphenyl)ethanone
CID 160792121
2-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
CID 116609303

Frequently Asked Questions

What is the IUPAC name of 2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone?
The IUPAC name of 2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone (CID 159741328) is 2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone.
What is the SMILES notation for 2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone?
The canonical SMILES for 2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone is Cn1cc(-c2ccc3cnc(CC(=O)c4ccc5c(c4)CCNC5)nc3c2)cn1.
What is the InChIKey of 2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone?
The InChIKey is NCMNDAYWFRSHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-28-14-20(13-26-28)15-2-5-19-12-25-23(27-21(19)9-15)10-22(29)17-3-4-18-11-24-7-6-16(18)8-17/h2-5,8-9,12-14,24H,6-7,10-11H2,1H3.
What are the key properties of 2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone?
2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone has a molecular weight of 383.46 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone is sourced from PubChem (CID 159741328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).