N-cyclohexyl-3-[2-(3,4-difluorophenyl)ethoxy]-N-[2-[2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethylamino]ethyl]propanamide;hydrochloride

About N-cyclohexyl-3-[2-(3,4-difluorophenyl)ethoxy]-N-[2-[2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethylamino]ethyl]propanamide;hydrochloride

N-cyclohexyl-3-[2-(3,4-difluorophenyl)ethoxy]-N-[2-[2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethylamino]ethyl]propanamide;hydrochloride (PubChem CID 68706711) has the molecular formula C30H38ClF2N3O4 and a molecular weight of 578.10 g/mol. Its IUPAC name is N-cyclohexyl-3-[2-(3,4-difluorophenyl)ethoxy]-N-[2-[2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethylamino]ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name	N-cyclohexyl-3-[2-(3,4-difluorophenyl)ethoxy]-N-[2-[2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethylamino]ethyl]propanamide;hydrochloride
PubChem CID	68706711
Molecular Formula	C30H38ClF2N3O4
Molecular Weight	578.10 g/mol
Exact Mass	577.25
IUPAC Name	N-cyclohexyl-3-[2-(3,4-difluorophenyl)ethoxy]-N-[2-[2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethylamino]ethyl]propanamide;hydrochloride
SMILES	Cl.O=C(CCOCCc1ccc(F)c(F)c1)N(CCNCCc1ccc(O)c2[nH]c(=O)ccc12)C1CCCCC1
InChI	InChI=1S/C30H37F2N3O4.ClH/c31-25-9-6-21(20-26(25)32)13-18-39-19-14-29(38)35(23-4-2-1-3-5-23)17-16-33-15-12-22-7-10-27(36)30-24(22)8-11-28(37)34-30;/h6-11,20,23,33,36H,1-5,12-19H2,(H,34,37);1H
InChIKey	XYFHMGXXBDFPRR-UHFFFAOYSA-N
XLogP	4.88
TPSA	94.66 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	13
Heavy Atoms	40
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	578.10
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[2-(3,4-difluorophenyl)ethoxy]-N-[2-[2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethylamino]ethyl]propanamide;hydrochloride?

The IUPAC name of N-cyclohexyl-3-[2-(3,4-difluorophenyl)ethoxy]-N-[2-[2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethylamino]ethyl]propanamide;hydrochloride (CID 68706711) is N-cyclohexyl-3-[2-(3,4-difluorophenyl)ethoxy]-N-[2-[2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethylamino]ethyl]propanamide;hydrochloride.

What is the SMILES notation for N-cyclohexyl-3-[2-(3,4-difluorophenyl)ethoxy]-N-[2-[2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethylamino]ethyl]propanamide;hydrochloride?

The canonical SMILES for N-cyclohexyl-3-[2-(3,4-difluorophenyl)ethoxy]-N-[2-[2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethylamino]ethyl]propanamide;hydrochloride is Cl.O=C(CCOCCc1ccc(F)c(F)c1)N(CCNCCc1ccc(O)c2[nH]c(=O)ccc12)C1CCCCC1.

What is the InChIKey of N-cyclohexyl-3-[2-(3,4-difluorophenyl)ethoxy]-N-[2-[2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethylamino]ethyl]propanamide;hydrochloride?

The InChIKey is XYFHMGXXBDFPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37F2N3O4.ClH/c31-25-9-6-21(20-26(25)32)13-18-39-19-14-29(38)35(23-4-2-1-3-5-23)17-16-33-15-12-22-7-10-27(36)30-24(22)8-11-28(37)34-30;/h6-11,20,23,33,36H,1-5,12-19H2,(H,34,37);1H.

What are the key properties of N-cyclohexyl-3-[2-(3,4-difluorophenyl)ethoxy]-N-[2-[2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethylamino]ethyl]propanamide;hydrochloride?

N-cyclohexyl-3-[2-(3,4-difluorophenyl)ethoxy]-N-[2-[2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethylamino]ethyl]propanamide;hydrochloride has a molecular weight of 578.10 g/mol, XLogP of 4.88, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-3-[2-(3,4-difluorophenyl)ethoxy]-N-[2-[2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethylamino]ethyl]propanamide;hydrochloride is sourced from PubChem (CID 68706711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).