9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-methoxyquinolin-6-yl)propyl]carbamate

C28H26N2O5 — CID 170835007

IUPAC9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-methoxyquinolin-6-yl)propyl]carbamate
SMILESCOc1ccc2cc(C(O)C(O)CNC(=O)OCC3c4ccccc4-c4ccccc43)ccc2n1
InChIInChI=1S/C28H26N2O5/c1-34-26-13-11-17-14-18(10-12-24(17)30-26)27(32)25(31)15-29-28(33)35-16-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-14,23,25,27,31-32H,15-16H2,1H3,(H,29,33)
InChIKeyUJEJTCFUDMHJLH-UHFFFAOYSA-N
MW470.53 g/mol
LogP4.18
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-methoxyquinolin-6-yl)propyl]carbamate

9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-methoxyquinolin-6-yl)propyl]carbamate (PubChem CID 170835007) has the molecular formula C28H26N2O5 and a molecular weight of 470.53 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-methoxyquinolin-6-yl)propyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-methoxyquinolin-6-yl)propyl]carbamate
PubChem CID170835007
Molecular FormulaC28H26N2O5
Molecular Weight470.53 g/mol
Exact Mass470.18
IUPAC Name9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-methoxyquinolin-6-yl)propyl]carbamate
SMILESCOc1ccc2cc(C(O)C(O)CNC(=O)OCC3c4ccccc4-c4ccccc43)ccc2n1
InChIInChI=1S/C28H26N2O5/c1-34-26-13-11-17-14-18(10-12-24(17)30-26)27(32)25(31)15-29-28(33)35-16-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-14,23,25,27,31-32H,15-16H2,1H3,(H,29,33)
InChIKeyUJEJTCFUDMHJLH-UHFFFAOYSA-N
XLogP4.18
TPSA100.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(6-hydroxynaphthalen-2-yl)propyl]carbamate
CID 170834917
9H-fluoren-9-ylmethyl N-[3-(3,4-diaminophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833851
9H-fluoren-9-ylmethyl N-[3-(3,4-difluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833755
methyl 5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]pyridine-2-carboxylate
CID 170834626
9H-fluoren-9-ylmethyl N-[3-(3-acetyl-4-chlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170834495
(E)-3-[5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-2-methoxyphenyl]prop-2-enoic acid
CID 170835124
9H-fluoren-9-ylmethyl N-[3-(3-amino-4-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833963
9H-fluoren-9-ylmethyl N-[3-(4-amino-3-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833941
9H-fluoren-9-ylmethyl N-[3-(3-chloro-4-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833770
9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-quinolin-6-ylbutyl)carbamate
CID 171886846
9H-fluoren-9-ylmethyl N-[3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-2,3-dihydroxypropyl]carbamate
CID 170835379
9H-fluoren-9-ylmethyl N-[3-(4-acetylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170834099

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-methoxyquinolin-6-yl)propyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-methoxyquinolin-6-yl)propyl]carbamate (CID 170835007) is 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-methoxyquinolin-6-yl)propyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-methoxyquinolin-6-yl)propyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-methoxyquinolin-6-yl)propyl]carbamate is COc1ccc2cc(C(O)C(O)CNC(=O)OCC3c4ccccc4-c4ccccc43)ccc2n1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-methoxyquinolin-6-yl)propyl]carbamate?
The InChIKey is UJEJTCFUDMHJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O5/c1-34-26-13-11-17-14-18(10-12-24(17)30-26)27(32)25(31)15-29-28(33)35-16-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-14,23,25,27,31-32H,15-16H2,1H3,(H,29,33).
What are the key properties of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-methoxyquinolin-6-yl)propyl]carbamate?
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-methoxyquinolin-6-yl)propyl]carbamate has a molecular weight of 470.53 g/mol, XLogP of 4.18, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-methoxyquinolin-6-yl)propyl]carbamate is sourced from PubChem (CID 170835007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).