N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enamide

C20H24N4O — CID 91942816

IUPACN-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enamide
SMILESCN1CCCc2cc(C=CC(=O)Nc3c4c(nn3C)CCC4)ccc21
InChIInChI=1S/C20H24N4O/c1-23-12-4-5-15-13-14(8-10-18(15)23)9-11-19(25)21-20-16-6-3-7-17(16)22-24(20)2/h8-11,13H,3-7,12H2,1-2H3,(H,21,25)
InChIKeyZYGQMQWQWMMRLH-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.94
Rot. Bonds3

About N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enamide

N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enamide (PubChem CID 91942816) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enamide
PubChem CID91942816
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enamide
SMILESCN1CCCc2cc(C=CC(=O)Nc3c4c(nn3C)CCC4)ccc21
InChIInChI=1S/C20H24N4O/c1-23-12-4-5-15-13-14(8-10-18(15)23)9-11-19(25)21-20-16-6-3-7-17(16)22-24(20)2/h8-11,13H,3-7,12H2,1-2H3,(H,21,25)
InChIKeyZYGQMQWQWMMRLH-UHFFFAOYSA-N
XLogP2.94
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enamide?
The IUPAC name of N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enamide (CID 91942816) is N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enamide.
What is the SMILES notation for N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enamide?
The canonical SMILES for N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enamide is CN1CCCc2cc(C=CC(=O)Nc3c4c(nn3C)CCC4)ccc21.
What is the InChIKey of N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enamide?
The InChIKey is ZYGQMQWQWMMRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-23-12-4-5-15-13-14(8-10-18(15)23)9-11-19(25)21-20-16-6-3-7-17(16)22-24(20)2/h8-11,13H,3-7,12H2,1-2H3,(H,21,25).
What are the key properties of N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enamide?
N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enamide has a molecular weight of 336.44 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enamide is sourced from PubChem (CID 91942816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).