[(1S)-1-[1-[1-cyclopropyl-4-[2-(dimethylamino)ethoxy]-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]ethyl]carbamic acid

C24H34N4O4 — CID 118864553

IUPAC[(1S)-1-[1-[1-cyclopropyl-4-[2-(dimethylamino)ethoxy]-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]ethyl]carbamic acid
SMILESCc1c(N2CCC([C@H](C)NC(=O)O)C2)ccc2c(OCCN(C)C)cc(=O)n(C3CC3)c12
InChIInChI=1S/C24H34N4O4/c1-15-20(27-10-9-17(14-27)16(2)25-24(30)31)8-7-19-21(32-12-11-26(3)4)13-22(29)28(23(15)19)18-5-6-18/h7-8,13,16-18,25H,5-6,9-12,14H2,1-4H3,(H,30,31)/t16-,17?/m0/s1
InChIKeyCFLYCFLZPUHMCA-BHWOMJMDSA-N
MW442.56 g/mol
LogP3.07
Rot. Bonds8

About [(1S)-1-[1-[1-cyclopropyl-4-[2-(dimethylamino)ethoxy]-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]ethyl]carbamic acid

[(1S)-1-[1-[1-cyclopropyl-4-[2-(dimethylamino)ethoxy]-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]ethyl]carbamic acid (PubChem CID 118864553) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is [(1S)-1-[1-[1-cyclopropyl-4-[2-(dimethylamino)ethoxy]-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]ethyl]carbamic acid.

Molecular Properties

Compound Name[(1S)-1-[1-[1-cyclopropyl-4-[2-(dimethylamino)ethoxy]-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]ethyl]carbamic acid
PubChem CID118864553
Molecular FormulaC24H34N4O4
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC Name[(1S)-1-[1-[1-cyclopropyl-4-[2-(dimethylamino)ethoxy]-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]ethyl]carbamic acid
SMILESCc1c(N2CCC([C@H](C)NC(=O)O)C2)ccc2c(OCCN(C)C)cc(=O)n(C3CC3)c12
InChIInChI=1S/C24H34N4O4/c1-15-20(27-10-9-17(14-27)16(2)25-24(30)31)8-7-19-21(32-12-11-26(3)4)13-22(29)28(23(15)19)18-5-6-18/h7-8,13,16-18,25H,5-6,9-12,14H2,1-4H3,(H,30,31)/t16-,17?/m0/s1
InChIKeyCFLYCFLZPUHMCA-BHWOMJMDSA-N
XLogP3.07
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[1-[1-cyclopropyl-4-[2-(dimethylamino)ethoxy]-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]ethyl]carbamic acid?
The IUPAC name of [(1S)-1-[1-[1-cyclopropyl-4-[2-(dimethylamino)ethoxy]-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]ethyl]carbamic acid (CID 118864553) is [(1S)-1-[1-[1-cyclopropyl-4-[2-(dimethylamino)ethoxy]-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]ethyl]carbamic acid.
What is the SMILES notation for [(1S)-1-[1-[1-cyclopropyl-4-[2-(dimethylamino)ethoxy]-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]ethyl]carbamic acid?
The canonical SMILES for [(1S)-1-[1-[1-cyclopropyl-4-[2-(dimethylamino)ethoxy]-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]ethyl]carbamic acid is Cc1c(N2CCC([C@H](C)NC(=O)O)C2)ccc2c(OCCN(C)C)cc(=O)n(C3CC3)c12.
What is the InChIKey of [(1S)-1-[1-[1-cyclopropyl-4-[2-(dimethylamino)ethoxy]-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]ethyl]carbamic acid?
The InChIKey is CFLYCFLZPUHMCA-BHWOMJMDSA-N. The full InChI is InChI=1S/C24H34N4O4/c1-15-20(27-10-9-17(14-27)16(2)25-24(30)31)8-7-19-21(32-12-11-26(3)4)13-22(29)28(23(15)19)18-5-6-18/h7-8,13,16-18,25H,5-6,9-12,14H2,1-4H3,(H,30,31)/t16-,17?/m0/s1.
What are the key properties of [(1S)-1-[1-[1-cyclopropyl-4-[2-(dimethylamino)ethoxy]-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]ethyl]carbamic acid?
[(1S)-1-[1-[1-cyclopropyl-4-[2-(dimethylamino)ethoxy]-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]ethyl]carbamic acid has a molecular weight of 442.56 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[1-[1-cyclopropyl-4-[2-(dimethylamino)ethoxy]-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]ethyl]carbamic acid is sourced from PubChem (CID 118864553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).