2-[4-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)pyrazol-1-yl]-2-methylpropanoic acid

C20H20N4O3 — CID 120696655

IUPAC2-[4-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)pyrazol-1-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1cc(NC(=O)c2c3c(nc4ccccc24)CCC3)cn1
InChIInChI=1S/C20H20N4O3/c1-20(2,19(26)27)24-11-12(10-21-24)22-18(25)17-13-6-3-4-8-15(13)23-16-9-5-7-14(16)17/h3-4,6,8,10-11H,5,7,9H2,1-2H3,(H,22,25)(H,26,27)
InChIKeyFHWYEKUVKOYLGJ-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.99
Rot. Bonds4

About 2-[4-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)pyrazol-1-yl]-2-methylpropanoic acid

2-[4-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)pyrazol-1-yl]-2-methylpropanoic acid (PubChem CID 120696655) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)pyrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)pyrazol-1-yl]-2-methylpropanoic acid
PubChem CID120696655
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name2-[4-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)pyrazol-1-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1cc(NC(=O)c2c3c(nc4ccccc24)CCC3)cn1
InChIInChI=1S/C20H20N4O3/c1-20(2,19(26)27)24-11-12(10-21-24)22-18(25)17-13-6-3-4-8-15(13)23-16-9-5-7-14(16)17/h3-4,6,8,10-11H,5,7,9H2,1-2H3,(H,22,25)(H,26,27)
InChIKeyFHWYEKUVKOYLGJ-UHFFFAOYSA-N
XLogP2.99
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 775717
N-imidazo[1,2-a]pyrimidin-6-yl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 167969636
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 3678676
methyl 4-(1,2,3,4-tetrahydroacridine-9-carbonylamino)benzoate
CID 9247815
N-(3-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 862180
N-(4-ethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 2314335
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 55864343
2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide
CID 14385689
N-(4-morpholin-4-ylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 8961124
2-[4-[(4-tert-butylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696583
N'-phenyl-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 21203873
N-(3-chloro-2-fluorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 29452933

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)pyrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)pyrazol-1-yl]-2-methylpropanoic acid (CID 120696655) is 2-[4-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)pyrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)pyrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)pyrazol-1-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)n1cc(NC(=O)c2c3c(nc4ccccc24)CCC3)cn1.
What is the InChIKey of 2-[4-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)pyrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is FHWYEKUVKOYLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-20(2,19(26)27)24-11-12(10-21-24)22-18(25)17-13-6-3-4-8-15(13)23-16-9-5-7-14(16)17/h3-4,6,8,10-11H,5,7,9H2,1-2H3,(H,22,25)(H,26,27).
What are the key properties of 2-[4-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)pyrazol-1-yl]-2-methylpropanoic acid?
2-[4-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)pyrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 364.41 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)pyrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 120696655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).