N-ethyl-2,4-dihydroxy-5-propan-2-yl-N-quinolin-3-ylbenzamide

C21H22N2O3 — CID 146316456

IUPACN-ethyl-2,4-dihydroxy-5-propan-2-yl-N-quinolin-3-ylbenzamide
SMILESCCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1cnc2ccccc2c1
InChIInChI=1S/C21H22N2O3/c1-4-23(15-9-14-7-5-6-8-18(14)22-12-15)21(26)17-10-16(13(2)3)19(24)11-20(17)25/h5-13,24-25H,4H2,1-3H3
InChIKeyWCEFDOQRCVCKFY-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.44
Rot. Bonds4

About N-ethyl-2,4-dihydroxy-5-propan-2-yl-N-quinolin-3-ylbenzamide

N-ethyl-2,4-dihydroxy-5-propan-2-yl-N-quinolin-3-ylbenzamide (PubChem CID 146316456) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-ethyl-2,4-dihydroxy-5-propan-2-yl-N-quinolin-3-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-2,4-dihydroxy-5-propan-2-yl-N-quinolin-3-ylbenzamide
PubChem CID146316456
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-ethyl-2,4-dihydroxy-5-propan-2-yl-N-quinolin-3-ylbenzamide
SMILESCCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1cnc2ccccc2c1
InChIInChI=1S/C21H22N2O3/c1-4-23(15-9-14-7-5-6-8-18(14)22-12-15)21(26)17-10-16(13(2)3)19(24)11-20(17)25/h5-13,24-25H,4H2,1-3H3
InChIKeyWCEFDOQRCVCKFY-UHFFFAOYSA-N
XLogP4.44
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,4-dihydroxy-5-propan-2-yl-N-quinolin-3-ylbenzamide?
The IUPAC name of N-ethyl-2,4-dihydroxy-5-propan-2-yl-N-quinolin-3-ylbenzamide (CID 146316456) is N-ethyl-2,4-dihydroxy-5-propan-2-yl-N-quinolin-3-ylbenzamide.
What is the SMILES notation for N-ethyl-2,4-dihydroxy-5-propan-2-yl-N-quinolin-3-ylbenzamide?
The canonical SMILES for N-ethyl-2,4-dihydroxy-5-propan-2-yl-N-quinolin-3-ylbenzamide is CCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1cnc2ccccc2c1.
What is the InChIKey of N-ethyl-2,4-dihydroxy-5-propan-2-yl-N-quinolin-3-ylbenzamide?
The InChIKey is WCEFDOQRCVCKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-4-23(15-9-14-7-5-6-8-18(14)22-12-15)21(26)17-10-16(13(2)3)19(24)11-20(17)25/h5-13,24-25H,4H2,1-3H3.
What are the key properties of N-ethyl-2,4-dihydroxy-5-propan-2-yl-N-quinolin-3-ylbenzamide?
N-ethyl-2,4-dihydroxy-5-propan-2-yl-N-quinolin-3-ylbenzamide has a molecular weight of 350.42 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,4-dihydroxy-5-propan-2-yl-N-quinolin-3-ylbenzamide is sourced from PubChem (CID 146316456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).