2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide

C23H21N5O2 — CID 43036753

IUPAC2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
SMILESCc1cccc2c(=O)n(CC(=O)Nc3c4c(nn3-c3ccccc3)CCC4)cnc12
InChIInChI=1S/C23H21N5O2/c1-15-7-5-11-18-21(15)24-14-27(23(18)30)13-20(29)25-22-17-10-6-12-19(17)26-28(22)16-8-3-2-4-9-16/h2-5,7-9,11,14H,6,10,12-13H2,1H3,(H,25,29)
InChIKeyRCVLELPYIURWDN-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.02
Rot. Bonds4

About 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide

2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide (PubChem CID 43036753) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
PubChem CID43036753
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
SMILESCc1cccc2c(=O)n(CC(=O)Nc3c4c(nn3-c3ccccc3)CCC4)cnc12
InChIInChI=1S/C23H21N5O2/c1-15-7-5-11-18-21(15)24-14-27(23(18)30)13-20(29)25-22-17-10-6-12-19(17)26-28(22)16-8-3-2-4-9-16/h2-5,7-9,11,14H,6,10,12-13H2,1H3,(H,25,29)
InChIKeyRCVLELPYIURWDN-UHFFFAOYSA-N
XLogP3.02
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(azepan-1-yl)phenyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 24660519
N-(2-methoxyphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17397655
2-(8-methyl-4-oxoquinazolin-3-yl)-N-quinolin-8-ylacetamide
CID 17443977
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 24655621
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-propoxyphenyl)acetamide
CID 27895346
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanamide
CID 30399323
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(1-phenylcyclobutyl)acetamide
CID 51273261
N,N-diethyl-4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide
CID 24529289
N-(5-methyl-1,2-oxazol-3-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27161523
N-(4-bromo-2-methylphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51264976
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 35030582
N-(5-chloro-2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51265002

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide?
The IUPAC name of 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide (CID 43036753) is 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide is Cc1cccc2c(=O)n(CC(=O)Nc3c4c(nn3-c3ccccc3)CCC4)cnc12.
What is the InChIKey of 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide?
The InChIKey is RCVLELPYIURWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-15-7-5-11-18-21(15)24-14-27(23(18)30)13-20(29)25-22-17-10-6-12-19(17)26-28(22)16-8-3-2-4-9-16/h2-5,7-9,11,14H,6,10,12-13H2,1H3,(H,25,29).
What are the key properties of 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide?
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide has a molecular weight of 399.45 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide is sourced from PubChem (CID 43036753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).