3,4-dihydro-2H-quinolin-1-yl-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

C22H18N4O — CID 55663997

IUPAC3,4-dihydro-2H-quinolin-1-yl-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESO=C(c1cnn2c(-c3ccccc3)ccnc12)N1CCCc2ccccc21
InChIInChI=1S/C22H18N4O/c27-22(25-14-6-10-16-9-4-5-11-19(16)25)18-15-24-26-20(12-13-23-21(18)26)17-7-2-1-3-8-17/h1-5,7-9,11-13,15H,6,10,14H2
InChIKeyJQSHDMKFZROGCY-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.99
Rot. Bonds2

About 3,4-dihydro-2H-quinolin-1-yl-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

3,4-dihydro-2H-quinolin-1-yl-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (PubChem CID 55663997) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
PubChem CID55663997
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESO=C(c1cnn2c(-c3ccccc3)ccnc12)N1CCCc2ccccc21
InChIInChI=1S/C22H18N4O/c27-22(25-14-6-10-16-9-4-5-11-19(16)25)18-15-24-26-20(12-13-23-21(18)26)17-7-2-1-3-8-17/h1-5,7-9,11-13,15H,6,10,14H2
InChIKeyJQSHDMKFZROGCY-UHFFFAOYSA-N
XLogP3.99
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-2,3-dihydroindole-6-sulfonamide
CID 86973617
(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 99812180
(2S)-1-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide
CID 97082981
(4-chloro-3-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81226103
[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109091635
(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 55791893
[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 46974573
1-[11-[1-[7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperidin-4-yl]-2,11-diazabicyclo[11.4.0]heptadeca-1(17),13,15-trien-2-yl]ethanone
CID 110074636
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 60506577
(5-amino-1,2-thiazol-4-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 117213473
(4-phenylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 67839485
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-1H-pyrimidin-6-one
CID 110857161

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (CID 55663997) is 3,4-dihydro-2H-quinolin-1-yl-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is O=C(c1cnn2c(-c3ccccc3)ccnc12)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The InChIKey is JQSHDMKFZROGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c27-22(25-14-6-10-16-9-4-5-11-19(16)25)18-15-24-26-20(12-13-23-21(18)26)17-7-2-1-3-8-17/h1-5,7-9,11-13,15H,6,10,14H2.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
3,4-dihydro-2H-quinolin-1-yl-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone has a molecular weight of 354.41 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is sourced from PubChem (CID 55663997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).