5,8-dimethoxy-1-methyl-4-oxo-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-3-carboxamide

C25H29N3O5 — CID 121240899

IUPAC5,8-dimethoxy-1-methyl-4-oxo-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-3-carboxamide
SMILESCOc1ccc(OC)c2c1c(=O)c(C(=O)Nc1ccc(OCCN3CCCC3)cc1)cn2C
InChIInChI=1S/C25H29N3O5/c1-27-16-19(24(29)22-20(31-2)10-11-21(32-3)23(22)27)25(30)26-17-6-8-18(9-7-17)33-15-14-28-12-4-5-13-28/h6-11,16H,4-5,12-15H2,1-3H3,(H,26,30)
InChIKeyOVQJWOGACUZKQN-UHFFFAOYSA-N
MW451.52 g/mol
LogP3.28
Rot. Bonds8

About 5,8-dimethoxy-1-methyl-4-oxo-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-3-carboxamide

5,8-dimethoxy-1-methyl-4-oxo-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-3-carboxamide (PubChem CID 121240899) has the molecular formula C25H29N3O5 and a molecular weight of 451.52 g/mol. Its IUPAC name is 5,8-dimethoxy-1-methyl-4-oxo-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name5,8-dimethoxy-1-methyl-4-oxo-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-3-carboxamide
PubChem CID121240899
Molecular FormulaC25H29N3O5
Molecular Weight451.52 g/mol
Exact Mass451.21
IUPAC Name5,8-dimethoxy-1-methyl-4-oxo-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-3-carboxamide
SMILESCOc1ccc(OC)c2c1c(=O)c(C(=O)Nc1ccc(OCCN3CCCC3)cc1)cn2C
InChIInChI=1S/C25H29N3O5/c1-27-16-19(24(29)22-20(31-2)10-11-21(32-3)23(22)27)25(30)26-17-6-8-18(9-7-17)33-15-14-28-12-4-5-13-28/h6-11,16H,4-5,12-15H2,1-3H3,(H,26,30)
InChIKeyOVQJWOGACUZKQN-UHFFFAOYSA-N
XLogP3.28
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methoxy-N-[4-(2-piperidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide
CID 100702903
N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2,2,2-trichloroacetamide
CID 100689409
2-bromo-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]benzamide
CID 141047368
1-[3-(4-acetyl-3-methoxyphenyl)-4,5-dimethoxyphenyl]-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]urea
CID 73055002
2-methoxy-4-(1-methylpyrazol-4-yl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]benzamide
CID 135144001
2-nitro-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide
CID 141275172
ethyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride
CID 24836577
(2S)-2-methoxy-2-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide
CID 100697324
N-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methoxy-2-methylpropanamide
CID 100692930
2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 9259187
2-methoxy-2,4-dimethyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide
CID 133245908
3,4-dimethoxy-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzamide
CID 3078820

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxy-1-methyl-4-oxo-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-3-carboxamide?
The IUPAC name of 5,8-dimethoxy-1-methyl-4-oxo-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-3-carboxamide (CID 121240899) is 5,8-dimethoxy-1-methyl-4-oxo-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-3-carboxamide.
What is the SMILES notation for 5,8-dimethoxy-1-methyl-4-oxo-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-3-carboxamide?
The canonical SMILES for 5,8-dimethoxy-1-methyl-4-oxo-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-3-carboxamide is COc1ccc(OC)c2c1c(=O)c(C(=O)Nc1ccc(OCCN3CCCC3)cc1)cn2C.
What is the InChIKey of 5,8-dimethoxy-1-methyl-4-oxo-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-3-carboxamide?
The InChIKey is OVQJWOGACUZKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5/c1-27-16-19(24(29)22-20(31-2)10-11-21(32-3)23(22)27)25(30)26-17-6-8-18(9-7-17)33-15-14-28-12-4-5-13-28/h6-11,16H,4-5,12-15H2,1-3H3,(H,26,30).
What are the key properties of 5,8-dimethoxy-1-methyl-4-oxo-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-3-carboxamide?
5,8-dimethoxy-1-methyl-4-oxo-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-3-carboxamide has a molecular weight of 451.52 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxy-1-methyl-4-oxo-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinoline-3-carboxamide is sourced from PubChem (CID 121240899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).