7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-phenyl-3-propan-2-ylquinoline-4-carboxamide

C31H30F2N2O2 — CID 25195705

IUPAC7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-phenyl-3-propan-2-ylquinoline-4-carboxamide
SMILESCC(C)c1c(-c2ccccc2)nc2cc(OC3CCCC3)ccc2c1C(=O)NCc1ccc(F)c(F)c1
InChIInChI=1S/C31H30F2N2O2/c1-19(2)28-29(31(36)34-18-20-12-15-25(32)26(33)16-20)24-14-13-23(37-22-10-6-7-11-22)17-27(24)35-30(28)21-8-4-3-5-9-21/h3-5,8-9,12-17,19,22H,6-7,10-11,18H2,1-2H3,(H,34,36)
InChIKeyQXRAETXMNUDPCK-UHFFFAOYSA-N
MW500.59 g/mol
LogP7.55
Rot. Bonds7

About 7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-phenyl-3-propan-2-ylquinoline-4-carboxamide

7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-phenyl-3-propan-2-ylquinoline-4-carboxamide (PubChem CID 25195705) has the molecular formula C31H30F2N2O2 and a molecular weight of 500.59 g/mol. Its IUPAC name is 7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-phenyl-3-propan-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-phenyl-3-propan-2-ylquinoline-4-carboxamide
PubChem CID25195705
Molecular FormulaC31H30F2N2O2
Molecular Weight500.59 g/mol
Exact Mass500.23
IUPAC Name7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-phenyl-3-propan-2-ylquinoline-4-carboxamide
SMILESCC(C)c1c(-c2ccccc2)nc2cc(OC3CCCC3)ccc2c1C(=O)NCc1ccc(F)c(F)c1
InChIInChI=1S/C31H30F2N2O2/c1-19(2)28-29(31(36)34-18-20-12-15-25(32)26(33)16-20)24-14-13-23(37-22-10-6-7-11-22)17-27(24)35-30(28)21-8-4-3-5-9-21/h3-5,8-9,12-17,19,22H,6-7,10-11,18H2,1-2H3,(H,34,36)
InChIKeyQXRAETXMNUDPCK-UHFFFAOYSA-N
XLogP7.55
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.59
LogP ≤ 57.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-phenyl-3-propan-2-ylquinoline-4-carboxamide?
The IUPAC name of 7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-phenyl-3-propan-2-ylquinoline-4-carboxamide (CID 25195705) is 7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-phenyl-3-propan-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-phenyl-3-propan-2-ylquinoline-4-carboxamide?
The canonical SMILES for 7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-phenyl-3-propan-2-ylquinoline-4-carboxamide is CC(C)c1c(-c2ccccc2)nc2cc(OC3CCCC3)ccc2c1C(=O)NCc1ccc(F)c(F)c1.
What is the InChIKey of 7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-phenyl-3-propan-2-ylquinoline-4-carboxamide?
The InChIKey is QXRAETXMNUDPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30F2N2O2/c1-19(2)28-29(31(36)34-18-20-12-15-25(32)26(33)16-20)24-14-13-23(37-22-10-6-7-11-22)17-27(24)35-30(28)21-8-4-3-5-9-21/h3-5,8-9,12-17,19,22H,6-7,10-11,18H2,1-2H3,(H,34,36).
What are the key properties of 7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-phenyl-3-propan-2-ylquinoline-4-carboxamide?
7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-phenyl-3-propan-2-ylquinoline-4-carboxamide has a molecular weight of 500.59 g/mol, XLogP of 7.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-phenyl-3-propan-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 25195705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).