2-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide

C21H20N2O2 — CID 42534455

IUPAC2-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide
SMILESO=C(NC[C@H](O)c1ccccc1)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C21H20N2O2/c24-20(15-6-2-1-3-7-15)13-22-21(25)17-12-19(14-10-11-14)23-18-9-5-4-8-16(17)18/h1-9,12,14,20,24H,10-11,13H2,(H,22,25)/t20-/m0/s1
InChIKeySQGNBNCQGZWXKY-FQEVSTJZSA-N
MW332.40 g/mol
LogP3.58
Rot. Bonds5

About 2-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide

2-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide (PubChem CID 42534455) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide
PubChem CID42534455
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name2-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide
SMILESO=C(NC[C@H](O)c1ccccc1)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C21H20N2O2/c24-20(15-6-2-1-3-7-15)13-22-21(25)17-12-19(14-10-11-14)23-18-9-5-4-8-16(17)18/h1-9,12,14,20,24H,10-11,13H2,(H,22,25)/t20-/m0/s1
InChIKeySQGNBNCQGZWXKY-FQEVSTJZSA-N
XLogP3.58
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 95158907
N-(2-hydroxy-2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42654572
2-cyclopropyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 42537662
2-(furan-2-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide
CID 39339230
2-cyclopropyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)quinoline-4-carboxamide
CID 134014842
2-cyclopropyl-N-[(1-phenylcyclopropyl)methyl]quinoline-4-carboxamide
CID 46533084
2-cyclopentylquinoline-4-carbohydrazide
CID 5270704
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-cyclopropylquinoline-4-carboxamide
CID 60557838
2-cyclopropyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 9377696
2-cyclopropyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]quinoline-4-carboxamide
CID 17430843
2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride
CID 119511849
2-cyclopropyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]quinoline-4-carboxamide
CID 55376459

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide (CID 42534455) is 2-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide is O=C(NC[C@H](O)c1ccccc1)c1cc(C2CC2)nc2ccccc12.
What is the InChIKey of 2-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide?
The InChIKey is SQGNBNCQGZWXKY-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H20N2O2/c24-20(15-6-2-1-3-7-15)13-22-21(25)17-12-19(14-10-11-14)23-18-9-5-4-8-16(17)18/h1-9,12,14,20,24H,10-11,13H2,(H,22,25)/t20-/m0/s1.
What are the key properties of 2-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide?
2-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide is sourced from PubChem (CID 42534455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).