ethane;2-[(3-propan-2-ylquinolin-6-yl)methyl]pyridine-4-carboxylic acid

C23H30N2O2 — CID 145222399

IUPACethane;2-[(3-propan-2-ylquinolin-6-yl)methyl]pyridine-4-carboxylic acid
SMILESCC.CC.CC(C)c1cnc2ccc(Cc3cc(C(=O)O)ccn3)cc2c1
InChIInChI=1S/C19H18N2O2.2C2H6/c1-12(2)16-9-15-7-13(3-4-18(15)21-11-16)8-17-10-14(19(22)23)5-6-20-17;2*1-2/h3-7,9-12H,8H2,1-2H3,(H,22,23);2*1-2H3
InChIKeyUVKRNZKOEJIHIB-UHFFFAOYSA-N
MW366.51 g/mol
LogP6.09
Rot. Bonds4

About ethane;2-[(3-propan-2-ylquinolin-6-yl)methyl]pyridine-4-carboxylic acid

ethane;2-[(3-propan-2-ylquinolin-6-yl)methyl]pyridine-4-carboxylic acid (PubChem CID 145222399) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is ethane;2-[(3-propan-2-ylquinolin-6-yl)methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Nameethane;2-[(3-propan-2-ylquinolin-6-yl)methyl]pyridine-4-carboxylic acid
PubChem CID145222399
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Nameethane;2-[(3-propan-2-ylquinolin-6-yl)methyl]pyridine-4-carboxylic acid
SMILESCC.CC.CC(C)c1cnc2ccc(Cc3cc(C(=O)O)ccn3)cc2c1
InChIInChI=1S/C19H18N2O2.2C2H6/c1-12(2)16-9-15-7-13(3-4-18(15)21-11-16)8-17-10-14(19(22)23)5-6-20-17;2*1-2/h3-7,9-12H,8H2,1-2H3,(H,22,23);2*1-2H3
InChIKeyUVKRNZKOEJIHIB-UHFFFAOYSA-N
XLogP6.09
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid
CID 118665159
6-propan-2-ylquinoline-3-carboxylic acid
CID 82113674
methyl 2-[(6-methylsulfanylquinolin-3-yl)methyl]pyridine-4-carboxylate
CID 145002059
N-[(6-amino-5-chloro-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-3-chloro-6-methylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;hydrochloride
CID 159580689
2-[[4-(methylideneamino)phenyl]methyl]pyridine-4-carboxylic acid
CID 145222326
3-(bromomethyl)-6-propan-2-ylquinoline
CID 95733004
N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide
CID 118213222
2-[(3-chloroquinolin-6-yl)methyl]-N-(3-ethyliminopropyl)pyridine-4-carboxamide
CID 145002112
2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-fluoro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(6-fluoro-1H-indol-5-yl)methanamine
CID 160878239
5-(aminomethyl)-6-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane;methane
CID 159581838
N-[[6-[(4-acetyl-2-pyridinyl)methyl]quinolin-2-yl]methyl]acetamide
CID 163929096
methyl-(3-propan-2-ylquinolin-6-yl)borinic acid
CID 161398353

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(3-propan-2-ylquinolin-6-yl)methyl]pyridine-4-carboxylic acid?
The IUPAC name of ethane;2-[(3-propan-2-ylquinolin-6-yl)methyl]pyridine-4-carboxylic acid (CID 145222399) is ethane;2-[(3-propan-2-ylquinolin-6-yl)methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for ethane;2-[(3-propan-2-ylquinolin-6-yl)methyl]pyridine-4-carboxylic acid?
The canonical SMILES for ethane;2-[(3-propan-2-ylquinolin-6-yl)methyl]pyridine-4-carboxylic acid is CC.CC.CC(C)c1cnc2ccc(Cc3cc(C(=O)O)ccn3)cc2c1.
What is the InChIKey of ethane;2-[(3-propan-2-ylquinolin-6-yl)methyl]pyridine-4-carboxylic acid?
The InChIKey is UVKRNZKOEJIHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2.2C2H6/c1-12(2)16-9-15-7-13(3-4-18(15)21-11-16)8-17-10-14(19(22)23)5-6-20-17;2*1-2/h3-7,9-12H,8H2,1-2H3,(H,22,23);2*1-2H3.
What are the key properties of ethane;2-[(3-propan-2-ylquinolin-6-yl)methyl]pyridine-4-carboxylic acid?
ethane;2-[(3-propan-2-ylquinolin-6-yl)methyl]pyridine-4-carboxylic acid has a molecular weight of 366.51 g/mol, XLogP of 6.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(3-propan-2-ylquinolin-6-yl)methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 145222399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).