9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-quinolin-6-ylbutyl)carbamate

C28H26N2O4 — CID 171886846

IUPAC9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-quinolin-6-ylbutyl)carbamate
SMILESO=C(NCCC(O)C(O)c1ccc2ncccc2c1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H26N2O4/c31-26(27(32)19-11-12-25-18(16-19)6-5-14-29-25)13-15-30-28(33)34-17-24-22-9-3-1-7-20(22)21-8-2-4-10-23(21)24/h1-12,14,16,24,26-27,31-32H,13,15,17H2,(H,30,33)
InChIKeyLKXSPWJNLYRBGT-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.56
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-quinolin-6-ylbutyl)carbamate

9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-quinolin-6-ylbutyl)carbamate (PubChem CID 171886846) has the molecular formula C28H26N2O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-quinolin-6-ylbutyl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-quinolin-6-ylbutyl)carbamate
PubChem CID171886846
Molecular FormulaC28H26N2O4
Molecular Weight454.53 g/mol
Exact Mass454.19
IUPAC Name9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-quinolin-6-ylbutyl)carbamate
SMILESO=C(NCCC(O)C(O)c1ccc2ncccc2c1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H26N2O4/c31-26(27(32)19-11-12-25-18(16-19)6-5-14-29-25)13-15-30-28(33)34-17-24-22-9-3-1-7-20(22)21-8-2-4-10-23(21)24/h1-12,14,16,24,26-27,31-32H,13,15,17H2,(H,30,33)
InChIKeyLKXSPWJNLYRBGT-UHFFFAOYSA-N
XLogP4.56
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-naphthalen-2-ylbutyl)carbamate
CID 171886819
9H-fluoren-9-ylmethyl N-[4-(2H-benzotriazol-5-yl)-3,4-dihydroxybutyl]carbamate
CID 171886818
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-propan-2-ylphenyl)butyl]carbamate
CID 171886469
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-methylphenyl)butyl]carbamate
CID 171886058
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(3,4,5-trichlorophenyl)butyl]carbamate
CID 171886456
9H-fluoren-9-ylmethyl N-[4-(9H-fluoren-2-yl)-3,4-dihydroxybutyl]carbamate
CID 171887623
9H-fluoren-9-ylmethyl N-[4-(5,6-dichloro-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171886378
9H-fluoren-9-ylmethyl N-[4-(3-chloro-4-cyanophenyl)-3,4-dihydroxybutyl]carbamate
CID 171886661
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[4-hydroxy-3-(1,2-oxazol-5-yl)phenyl]butyl]carbamate
CID 171887464
5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]benzene-1,3-dicarboxylic acid
CID 171887482
methyl 5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]pyrimidine-2-carboxylate
CID 171887008
9H-fluoren-9-ylmethyl N-[4-(3-formylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171886253

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-quinolin-6-ylbutyl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-quinolin-6-ylbutyl)carbamate (CID 171886846) is 9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-quinolin-6-ylbutyl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-quinolin-6-ylbutyl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-quinolin-6-ylbutyl)carbamate is O=C(NCCC(O)C(O)c1ccc2ncccc2c1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-quinolin-6-ylbutyl)carbamate?
The InChIKey is LKXSPWJNLYRBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O4/c31-26(27(32)19-11-12-25-18(16-19)6-5-14-29-25)13-15-30-28(33)34-17-24-22-9-3-1-7-20(22)21-8-2-4-10-23(21)24/h1-12,14,16,24,26-27,31-32H,13,15,17H2,(H,30,33).
What are the key properties of 9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-quinolin-6-ylbutyl)carbamate?
9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-quinolin-6-ylbutyl)carbamate has a molecular weight of 454.53 g/mol, XLogP of 4.56, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-quinolin-6-ylbutyl)carbamate is sourced from PubChem (CID 171886846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).