(2R)-2-[[3-fluoro-4-[(2-pyridin-4-ylquinolin-4-yl)methoxy]phenyl]methyl]-N',N'-dimethylpentanediamide

C29H29FN4O3 — CID 142258686

IUPAC(2R)-2-[[3-fluoro-4-[(2-pyridin-4-ylquinolin-4-yl)methoxy]phenyl]methyl]-N',N'-dimethylpentanediamide
SMILESCN(C)C(=O)CC[C@H](Cc1ccc(OCc2cc(-c3ccncc3)nc3ccccc23)c(F)c1)C(N)=O
InChIInChI=1S/C29H29FN4O3/c1-34(2)28(35)10-8-21(29(31)36)15-19-7-9-27(24(30)16-19)37-18-22-17-26(20-11-13-32-14-12-20)33-25-6-4-3-5-23(22)25/h3-7,9,11-14,16-17,21H,8,10,15,18H2,1-2H3,(H2,31,36)/t21-/m1/s1
InChIKeyAQYOXZJUCNSKQP-OAQYLSRUSA-N
MW500.57 g/mol
LogP4.53
Rot. Bonds10

About (2R)-2-[[3-fluoro-4-[(2-pyridin-4-ylquinolin-4-yl)methoxy]phenyl]methyl]-N',N'-dimethylpentanediamide

(2R)-2-[[3-fluoro-4-[(2-pyridin-4-ylquinolin-4-yl)methoxy]phenyl]methyl]-N',N'-dimethylpentanediamide (PubChem CID 142258686) has the molecular formula C29H29FN4O3 and a molecular weight of 500.57 g/mol. Its IUPAC name is (2R)-2-[[3-fluoro-4-[(2-pyridin-4-ylquinolin-4-yl)methoxy]phenyl]methyl]-N',N'-dimethylpentanediamide.

Molecular Properties

Compound Name(2R)-2-[[3-fluoro-4-[(2-pyridin-4-ylquinolin-4-yl)methoxy]phenyl]methyl]-N',N'-dimethylpentanediamide
PubChem CID142258686
Molecular FormulaC29H29FN4O3
Molecular Weight500.57 g/mol
Exact Mass500.22
IUPAC Name(2R)-2-[[3-fluoro-4-[(2-pyridin-4-ylquinolin-4-yl)methoxy]phenyl]methyl]-N',N'-dimethylpentanediamide
SMILESCN(C)C(=O)CC[C@H](Cc1ccc(OCc2cc(-c3ccncc3)nc3ccccc23)c(F)c1)C(N)=O
InChIInChI=1S/C29H29FN4O3/c1-34(2)28(35)10-8-21(29(31)36)15-19-7-9-27(24(30)16-19)37-18-22-17-26(20-11-13-32-14-12-20)33-25-6-4-3-5-23(22)25/h3-7,9,11-14,16-17,21H,8,10,15,18H2,1-2H3,(H2,31,36)/t21-/m1/s1
InChIKeyAQYOXZJUCNSKQP-OAQYLSRUSA-N
XLogP4.53
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.57
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[3-fluoro-4-[(2-pyridin-4-ylquinolin-4-yl)methoxy]phenyl]methyl]-N',N'-dimethylpentanediamide with MolForge

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Launch Full Analysis

Related Compounds

methyl 1-[[3-fluoro-4-[(2-pyridin-4-ylquinolin-4-yl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate
CID 20748744
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 8834218
1-[[4-[[2-(4-chlorophenyl)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide
CID 20748498
cis-ethyl (1R,2S)-2-carbamoyl-1-[[3-fluoro-4-[(6-methyl-2-pyridin-3-ylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate
CID 142258803
1-[[4-[[2-(dimethylamino)quinolin-4-yl]methoxy]-3-fluorophenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide
CID 20748502
methyl 2-(pyridin-4-ylmethyl)-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]propanoate
CID 166201340
3-[2-(4-ethoxyphenyl)quinolin-4-yl]-2-hydroxypropanamide
CID 170576328
2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylacetamide
CID 107665283
methyl 3-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]propanoate
CID 58944756
(4-bromophenyl)methyl 2-pyridin-4-ylquinoline-4-carboxylate
CID 2404179
3-(3-fluoro-4-phenylmethoxyphenyl)-2-methylpropanoic acid
CID 70863911
N,N,2-trimethyl-3-(2-phenylquinolin-4-yl)propanamide;hydrochloride
CID 21283571

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-fluoro-4-[(2-pyridin-4-ylquinolin-4-yl)methoxy]phenyl]methyl]-N',N'-dimethylpentanediamide?
The IUPAC name of (2R)-2-[[3-fluoro-4-[(2-pyridin-4-ylquinolin-4-yl)methoxy]phenyl]methyl]-N',N'-dimethylpentanediamide (CID 142258686) is (2R)-2-[[3-fluoro-4-[(2-pyridin-4-ylquinolin-4-yl)methoxy]phenyl]methyl]-N',N'-dimethylpentanediamide.
What is the SMILES notation for (2R)-2-[[3-fluoro-4-[(2-pyridin-4-ylquinolin-4-yl)methoxy]phenyl]methyl]-N',N'-dimethylpentanediamide?
The canonical SMILES for (2R)-2-[[3-fluoro-4-[(2-pyridin-4-ylquinolin-4-yl)methoxy]phenyl]methyl]-N',N'-dimethylpentanediamide is CN(C)C(=O)CC[C@H](Cc1ccc(OCc2cc(-c3ccncc3)nc3ccccc23)c(F)c1)C(N)=O.
What is the InChIKey of (2R)-2-[[3-fluoro-4-[(2-pyridin-4-ylquinolin-4-yl)methoxy]phenyl]methyl]-N',N'-dimethylpentanediamide?
The InChIKey is AQYOXZJUCNSKQP-OAQYLSRUSA-N. The full InChI is InChI=1S/C29H29FN4O3/c1-34(2)28(35)10-8-21(29(31)36)15-19-7-9-27(24(30)16-19)37-18-22-17-26(20-11-13-32-14-12-20)33-25-6-4-3-5-23(22)25/h3-7,9,11-14,16-17,21H,8,10,15,18H2,1-2H3,(H2,31,36)/t21-/m1/s1.
What are the key properties of (2R)-2-[[3-fluoro-4-[(2-pyridin-4-ylquinolin-4-yl)methoxy]phenyl]methyl]-N',N'-dimethylpentanediamide?
(2R)-2-[[3-fluoro-4-[(2-pyridin-4-ylquinolin-4-yl)methoxy]phenyl]methyl]-N',N'-dimethylpentanediamide has a molecular weight of 500.57 g/mol, XLogP of 4.53, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-fluoro-4-[(2-pyridin-4-ylquinolin-4-yl)methoxy]phenyl]methyl]-N',N'-dimethylpentanediamide is sourced from PubChem (CID 142258686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).