(E)-3,5-dihydroxy-7-quinolin-2-ylhept-6-enoic acid

C16H17NO4 — CID 22926278

IUPAC(E)-3,5-dihydroxy-7-quinolin-2-ylhept-6-enoic acid
SMILESO=C(O)CC(O)CC(O)/C=C/c1ccc2ccccc2n1
InChIInChI=1S/C16H17NO4/c18-13(9-14(19)10-16(20)21)8-7-12-6-5-11-3-1-2-4-15(11)17-12/h1-8,13-14,18-19H,9-10H2,(H,20,21)/b8-7+
InChIKeyNEHKARMWCGDCNP-BQYQJAHWSA-N
MW287.31 g/mol
LogP1.83
Rot. Bonds6

About (E)-3,5-dihydroxy-7-quinolin-2-ylhept-6-enoic acid

(E)-3,5-dihydroxy-7-quinolin-2-ylhept-6-enoic acid (PubChem CID 22926278) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is (E)-3,5-dihydroxy-7-quinolin-2-ylhept-6-enoic acid.

Molecular Properties

Compound Name(E)-3,5-dihydroxy-7-quinolin-2-ylhept-6-enoic acid
PubChem CID22926278
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name(E)-3,5-dihydroxy-7-quinolin-2-ylhept-6-enoic acid
SMILESO=C(O)CC(O)CC(O)/C=C/c1ccc2ccccc2n1
InChIInChI=1S/C16H17NO4/c18-13(9-14(19)10-16(20)21)8-7-12-6-5-11-3-1-2-4-15(11)17-12/h1-8,13-14,18-19H,9-10H2,(H,20,21)/b8-7+
InChIKeyNEHKARMWCGDCNP-BQYQJAHWSA-N
XLogP1.83
TPSA90.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-[[(E)-3-quinolin-2-ylprop-2-enoyl]amino]pentanoic acid
CID 139018264
(E,3S,5R)-7-[4-(4-fluorophenyl)-2-propan-2-ylquinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
CID 14229349
2-[(E,3S)-3,5-dimethylhex-1-enyl]quinoline
CID 54517251
3-[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]propanoic acid
CID 52614181
2-[4-(2-quinolin-2-ylethenyl)phenoxy]acetic acid
CID 4998938
(3R,5S)-7-[2-cyclopropyl-4-(4-hydroxyphenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
CID 136652607
(E)-7-(6-chloro-4-phenyl-2-propan-2-ylquinolin-3-yl)-3,5-dihydroxyhept-6-enoic acid
CID 15125440
3,5-dihydroxy-7-(3-methyl-5-phenyltriazol-4-yl)hept-6-enoic acid
CID 54449637
(E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
CID 6366718
(Z,3S,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
CID 100942119
3-bromo-3-quinolin-2-ylpropanoic acid
CID 154268355
calcium;(E,3R,5R)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid;hydride
CID 173005876

Frequently Asked Questions

What is the IUPAC name of (E)-3,5-dihydroxy-7-quinolin-2-ylhept-6-enoic acid?
The IUPAC name of (E)-3,5-dihydroxy-7-quinolin-2-ylhept-6-enoic acid (CID 22926278) is (E)-3,5-dihydroxy-7-quinolin-2-ylhept-6-enoic acid.
What is the SMILES notation for (E)-3,5-dihydroxy-7-quinolin-2-ylhept-6-enoic acid?
The canonical SMILES for (E)-3,5-dihydroxy-7-quinolin-2-ylhept-6-enoic acid is O=C(O)CC(O)CC(O)/C=C/c1ccc2ccccc2n1.
What is the InChIKey of (E)-3,5-dihydroxy-7-quinolin-2-ylhept-6-enoic acid?
The InChIKey is NEHKARMWCGDCNP-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H17NO4/c18-13(9-14(19)10-16(20)21)8-7-12-6-5-11-3-1-2-4-15(11)17-12/h1-8,13-14,18-19H,9-10H2,(H,20,21)/b8-7+.
What are the key properties of (E)-3,5-dihydroxy-7-quinolin-2-ylhept-6-enoic acid?
(E)-3,5-dihydroxy-7-quinolin-2-ylhept-6-enoic acid has a molecular weight of 287.31 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,5-dihydroxy-7-quinolin-2-ylhept-6-enoic acid is sourced from PubChem (CID 22926278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).