9H-fluoren-9-ylmethyl N-[2-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-1H-quinolin-7-yl]carbamate

C31H29N3O4 — CID 125126905

IUPAC9H-fluoren-9-ylmethyl N-[2-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-1H-quinolin-7-yl]carbamate
SMILESO=C(Nc1ccc2c(CC(=O)N3CCCCC3)cc(=O)[nH]c2c1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C31H29N3O4/c35-29-16-20(17-30(36)34-14-6-1-7-15-34)22-13-12-21(18-28(22)33-29)32-31(37)38-19-27-25-10-4-2-8-23(25)24-9-3-5-11-26(24)27/h2-5,8-13,16,18,27H,1,6-7,14-15,17,19H2,(H,32,37)(H,33,35)
InChIKeyJMRBJUPNZNFXHC-UHFFFAOYSA-N
MW507.59 g/mol
LogP5.44
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[2-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-1H-quinolin-7-yl]carbamate

9H-fluoren-9-ylmethyl N-[2-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-1H-quinolin-7-yl]carbamate (PubChem CID 125126905) has the molecular formula C31H29N3O4 and a molecular weight of 507.59 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-1H-quinolin-7-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[2-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-1H-quinolin-7-yl]carbamate
PubChem CID125126905
Molecular FormulaC31H29N3O4
Molecular Weight507.59 g/mol
Exact Mass507.22
IUPAC Name9H-fluoren-9-ylmethyl N-[2-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-1H-quinolin-7-yl]carbamate
SMILESO=C(Nc1ccc2c(CC(=O)N3CCCCC3)cc(=O)[nH]c2c1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C31H29N3O4/c35-29-16-20(17-30(36)34-14-6-1-7-15-34)22-13-12-21(18-28(22)33-29)32-31(37)38-19-27-25-10-4-2-8-23(25)24-9-3-5-11-26(24)27/h2-5,8-13,16,18,27H,1,6-7,14-15,17,19H2,(H,32,37)(H,33,35)
InChIKeyJMRBJUPNZNFXHC-UHFFFAOYSA-N
XLogP5.44
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.59
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 9H-fluoren-9-ylmethyl N-[2-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-1H-quinolin-7-yl]carbamate with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl N-(4-oxo-2,3-dihydrothiochromen-6-yl)carbamate
CID 71602980
[(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-7,7-dimethyl-1-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-1-oxooctan-2-yl]carbamic acid
CID 66667521
9H-fluoren-9-ylmethyl N-(4-aminophenyl)carbamate
CID 11450338
9H-fluoren-9-ylmethyl N-(1,2-dihydroisoquinolin-6-yl)carbamate
CID 141056438
9H-fluoren-9-ylmethyl N-[4-(cyclohexylcarbamoylamino)phenyl]carbamate
CID 45112398
2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-pyrrolidin-1-ylbutanoic acid
CID 122240309
9H-fluoren-9-ylmethyl N-(4-chlorophenyl)carbamate
CID 12841540
9H-fluoren-9-ylmethyl (2S)-2-[[(2S)-1-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 56644455
ethyl 2-[7-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-2-oxochromen-3-yl]acetate
CID 16720102
9H-fluoren-9-ylmethyl (2S)-2-[[(2S)-6-amino-1-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-1-oxohexan-2-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxylate
CID 56644246
benzyl N-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]carbamate
CID 141445074
3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-4-oxo-4-piperidin-1-ylbutanoic acid
CID 155248442

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-1H-quinolin-7-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[2-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-1H-quinolin-7-yl]carbamate (CID 125126905) is 9H-fluoren-9-ylmethyl N-[2-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-1H-quinolin-7-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-1H-quinolin-7-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-1H-quinolin-7-yl]carbamate is O=C(Nc1ccc2c(CC(=O)N3CCCCC3)cc(=O)[nH]c2c1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-1H-quinolin-7-yl]carbamate?
The InChIKey is JMRBJUPNZNFXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N3O4/c35-29-16-20(17-30(36)34-14-6-1-7-15-34)22-13-12-21(18-28(22)33-29)32-31(37)38-19-27-25-10-4-2-8-23(25)24-9-3-5-11-26(24)27/h2-5,8-13,16,18,27H,1,6-7,14-15,17,19H2,(H,32,37)(H,33,35).
What are the key properties of 9H-fluoren-9-ylmethyl N-[2-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-1H-quinolin-7-yl]carbamate?
9H-fluoren-9-ylmethyl N-[2-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-1H-quinolin-7-yl]carbamate has a molecular weight of 507.59 g/mol, XLogP of 5.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[2-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-1H-quinolin-7-yl]carbamate is sourced from PubChem (CID 125126905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).