8-chloro-2-(2-methyl-3-pyridinyl)quinoline-3-carbaldehyde;1-[8-chloro-2-(2-methyl-3-pyridinyl)quinolin-3-yl]ethanol

C33H26Cl2N4O2 — CID 157394006

IUPAC8-chloro-2-(2-methyl-3-pyridinyl)quinoline-3-carbaldehyde;1-[8-chloro-2-(2-methyl-3-pyridinyl)quinolin-3-yl]ethanol
SMILESCc1ncccc1-c1nc2c(Cl)cccc2cc1C(C)O.Cc1ncccc1-c1nc2c(Cl)cccc2cc1C=O
InChIInChI=1S/C17H15ClN2O.C16H11ClN2O/c1-10-13(6-4-8-19-10)17-14(11(2)21)9-12-5-3-7-15(18)16(12)20-17;1-10-13(5-3-7-18-10)15-12(9-20)8-11-4-2-6-14(17)16(11)19-15/h3-9,11,21H,1-2H3;2-9H,1H3
InChIKeyBMIVHRQIXOODRB-UHFFFAOYSA-N
MW581.50 g/mol
LogP8.38
Rot. Bonds4

About 8-chloro-2-(2-methyl-3-pyridinyl)quinoline-3-carbaldehyde;1-[8-chloro-2-(2-methyl-3-pyridinyl)quinolin-3-yl]ethanol

8-chloro-2-(2-methyl-3-pyridinyl)quinoline-3-carbaldehyde;1-[8-chloro-2-(2-methyl-3-pyridinyl)quinolin-3-yl]ethanol (PubChem CID 157394006) has the molecular formula C33H26Cl2N4O2 and a molecular weight of 581.50 g/mol. Its IUPAC name is 8-chloro-2-(2-methyl-3-pyridinyl)quinoline-3-carbaldehyde;1-[8-chloro-2-(2-methyl-3-pyridinyl)quinolin-3-yl]ethanol.

Molecular Properties

Compound Name8-chloro-2-(2-methyl-3-pyridinyl)quinoline-3-carbaldehyde;1-[8-chloro-2-(2-methyl-3-pyridinyl)quinolin-3-yl]ethanol
PubChem CID157394006
Molecular FormulaC33H26Cl2N4O2
Molecular Weight581.50 g/mol
Exact Mass580.14
IUPAC Name8-chloro-2-(2-methyl-3-pyridinyl)quinoline-3-carbaldehyde;1-[8-chloro-2-(2-methyl-3-pyridinyl)quinolin-3-yl]ethanol
SMILESCc1ncccc1-c1nc2c(Cl)cccc2cc1C(C)O.Cc1ncccc1-c1nc2c(Cl)cccc2cc1C=O
InChIInChI=1S/C17H15ClN2O.C16H11ClN2O/c1-10-13(6-4-8-19-10)17-14(11(2)21)9-12-5-3-7-15(18)16(12)20-17;1-10-13(5-3-7-18-10)15-12(9-20)8-11-4-2-6-14(17)16(11)19-15/h3-9,11,21H,1-2H3;2-9H,1H3
InChIKeyBMIVHRQIXOODRB-UHFFFAOYSA-N
XLogP8.38
TPSA88.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.50
LogP ≤ 58.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

1-[(5-Chloropyridin-3-yl)carbonyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol
CID 56742059
8-Chloro-2-(pyridin-3-yl)quinoline-3-carboxylic acid ethyl ester
CID 66692041
1-Quinolin-3-ylethanol;1-quinolin-3-ylethanone
CID 69725323
6-Chloroquinoline-3-carboxylic acid;ethyl 6-chloroquinoline-3-carboxylate
CID 69962557
Quinoline-3-carbaldehyde;quinolin-3-ylmethanol
CID 87606996
7-Chloroquinoline-3-carboxylic acid;(7-chloroquinolin-3-yl)methanol
CID 121365151
(3-Fluorophenyl)-quinolin-3-ylmethanol;(3-fluorophenyl)-quinolin-3-ylmethanone
CID 129079809
1-[8-[(4-Chlorophenyl)-hydroxymethyl]-4-(2-methylanilino)quinolin-3-yl]butan-1-one
CID 139661302
(3-Chloro-5-morpholin-4-ylphenyl)-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)methanol;7-fluoro-3-methyl-2-pyridin-2-ylquinoline-4-carbaldehyde;propane
CID 144115108
5-Chloro-2-(3-fluorophenyl)quinoline-3-carbaldehyde;1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethanol
CID 157078864
Sodium;5-[(3-chloroquinolin-6-yl)methyl]pyridine-3-carboxylic acid;ethyl 5-[(3-chloroquinolin-6-yl)methyl]pyridine-3-carboxylate;hydroxide
CID 157206630
8-Chloro-2-(6-chloro-3-pyridinyl)quinoline-3-carbaldehyde;2,8-dichloroquinoline-3-carbaldehyde
CID 157211773

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(2-methyl-3-pyridinyl)quinoline-3-carbaldehyde;1-[8-chloro-2-(2-methyl-3-pyridinyl)quinolin-3-yl]ethanol?
The IUPAC name of 8-chloro-2-(2-methyl-3-pyridinyl)quinoline-3-carbaldehyde;1-[8-chloro-2-(2-methyl-3-pyridinyl)quinolin-3-yl]ethanol (CID 157394006) is 8-chloro-2-(2-methyl-3-pyridinyl)quinoline-3-carbaldehyde;1-[8-chloro-2-(2-methyl-3-pyridinyl)quinolin-3-yl]ethanol.
What is the SMILES notation for 8-chloro-2-(2-methyl-3-pyridinyl)quinoline-3-carbaldehyde;1-[8-chloro-2-(2-methyl-3-pyridinyl)quinolin-3-yl]ethanol?
The canonical SMILES for 8-chloro-2-(2-methyl-3-pyridinyl)quinoline-3-carbaldehyde;1-[8-chloro-2-(2-methyl-3-pyridinyl)quinolin-3-yl]ethanol is Cc1ncccc1-c1nc2c(Cl)cccc2cc1C(C)O.Cc1ncccc1-c1nc2c(Cl)cccc2cc1C=O.
What is the InChIKey of 8-chloro-2-(2-methyl-3-pyridinyl)quinoline-3-carbaldehyde;1-[8-chloro-2-(2-methyl-3-pyridinyl)quinolin-3-yl]ethanol?
The InChIKey is BMIVHRQIXOODRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O.C16H11ClN2O/c1-10-13(6-4-8-19-10)17-14(11(2)21)9-12-5-3-7-15(18)16(12)20-17;1-10-13(5-3-7-18-10)15-12(9-20)8-11-4-2-6-14(17)16(11)19-15/h3-9,11,21H,1-2H3;2-9H,1H3.
What are the key properties of 8-chloro-2-(2-methyl-3-pyridinyl)quinoline-3-carbaldehyde;1-[8-chloro-2-(2-methyl-3-pyridinyl)quinolin-3-yl]ethanol?
8-chloro-2-(2-methyl-3-pyridinyl)quinoline-3-carbaldehyde;1-[8-chloro-2-(2-methyl-3-pyridinyl)quinolin-3-yl]ethanol has a molecular weight of 581.50 g/mol, XLogP of 8.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(2-methyl-3-pyridinyl)quinoline-3-carbaldehyde;1-[8-chloro-2-(2-methyl-3-pyridinyl)quinolin-3-yl]ethanol is sourced from PubChem (CID 157394006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).