4-(4-fluorophenyl)-N-[8-methoxy-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide

C28H26FN3O2 — CID 18436095

IUPAC4-(4-fluorophenyl)-N-[8-methoxy-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
SMILESCOc1c(NC(=O)c2ccc(-c3ccc(F)cc3)cc2)ccc2cc(CN3CCCC3)cnc12
InChIInChI=1S/C28H26FN3O2/c1-34-27-25(13-10-23-16-19(17-30-26(23)27)18-32-14-2-3-15-32)31-28(33)22-6-4-20(5-7-22)21-8-11-24(29)12-9-21/h4-13,16-17H,2-3,14-15,18H2,1H3,(H,31,33)
InChIKeyVQLSRZQYBLRCNJ-UHFFFAOYSA-N
MW455.53 g/mol
LogP5.90
Rot. Bonds6

About 4-(4-fluorophenyl)-N-[8-methoxy-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide

4-(4-fluorophenyl)-N-[8-methoxy-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide (PubChem CID 18436095) has the molecular formula C28H26FN3O2 and a molecular weight of 455.53 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[8-methoxy-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[8-methoxy-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
PubChem CID18436095
Molecular FormulaC28H26FN3O2
Molecular Weight455.53 g/mol
Exact Mass455.20
IUPAC Name4-(4-fluorophenyl)-N-[8-methoxy-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
SMILESCOc1c(NC(=O)c2ccc(-c3ccc(F)cc3)cc2)ccc2cc(CN3CCCC3)cnc12
InChIInChI=1S/C28H26FN3O2/c1-34-27-25(13-10-23-16-19(17-30-26(23)27)18-32-14-2-3-15-32)31-28(33)22-6-4-20(5-7-22)21-8-11-24(29)12-9-21/h4-13,16-17H,2-3,14-15,18H2,1H3,(H,31,33)
InChIKeyVQLSRZQYBLRCNJ-UHFFFAOYSA-N
XLogP5.90
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.53
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[4-(2-amino-2-oxoethyl)piperidin-1-yl]methyl]-8-methylquinolin-7-yl]-4-(4-fluorophenyl)benzamide
CID 18436146
4-(2-chlorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
CID 18435919
4-bromo-3-fluoro-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
CID 18436011
4-(cyclopropylmethoxy)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
CID 18435902
N-[6-fluoro-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]-4-[4-(trifluoromethoxy)phenyl]benzamide
CID 18436190
6-(4-methoxyphenyl)-N-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]pyridine-3-carboxamide
CID 10274793
N-[6-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]-4-thiophen-3-ylbenzamide
CID 18436196
4-(2-chlorophenyl)-N-[6-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide;hydrochloride
CID 18435917
N-(2-aminophenyl)-4-[3-chloro-5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide
CID 11495172
4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)benzamide
CID 43920267
4-[[4-(4-fluorophenyl)-5-methoxypyrimidin-2-yl]amino]-N-[2-methyl-5-(piperazin-1-ylmethyl)phenyl]benzamide
CID 134541768
N-(2-aminophenyl)-4-[3-cyano-5-[[3-(4-fluorophenyl)piperidin-1-yl]methyl]-2-pyridinyl]benzamide
CID 67269461

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[8-methoxy-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[8-methoxy-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide (CID 18436095) is 4-(4-fluorophenyl)-N-[8-methoxy-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[8-methoxy-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[8-methoxy-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide is COc1c(NC(=O)c2ccc(-c3ccc(F)cc3)cc2)ccc2cc(CN3CCCC3)cnc12.
What is the InChIKey of 4-(4-fluorophenyl)-N-[8-methoxy-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide?
The InChIKey is VQLSRZQYBLRCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN3O2/c1-34-27-25(13-10-23-16-19(17-30-26(23)27)18-32-14-2-3-15-32)31-28(33)22-6-4-20(5-7-22)21-8-11-24(29)12-9-21/h4-13,16-17H,2-3,14-15,18H2,1H3,(H,31,33).
What are the key properties of 4-(4-fluorophenyl)-N-[8-methoxy-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide?
4-(4-fluorophenyl)-N-[8-methoxy-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide has a molecular weight of 455.53 g/mol, XLogP of 5.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[8-methoxy-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide is sourced from PubChem (CID 18436095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).