3-(hydroxymethyl)-4-[[(1R)-1-(3-methoxyphenyl)butyl]amino]quinoline-8-carboxamide

C22H25N3O3 — CID 159201934

IUPAC3-(hydroxymethyl)-4-[[(1R)-1-(3-methoxyphenyl)butyl]amino]quinoline-8-carboxamide
SMILESCCC[C@@H](Nc1c(CO)cnc2c(C(N)=O)cccc12)c1cccc(OC)c1
InChIInChI=1S/C22H25N3O3/c1-3-6-19(14-7-4-8-16(11-14)28-2)25-20-15(13-26)12-24-21-17(20)9-5-10-18(21)22(23)27/h4-5,7-12,19,26H,3,6,13H2,1-2H3,(H2,23,27)(H,24,25)/t19-/m1/s1
InChIKeyKPKAHCZQILFBCL-LJQANCHMSA-N
MW379.46 g/mol
LogP3.79
Rot. Bonds8

About 3-(hydroxymethyl)-4-[[(1R)-1-(3-methoxyphenyl)butyl]amino]quinoline-8-carboxamide

3-(hydroxymethyl)-4-[[(1R)-1-(3-methoxyphenyl)butyl]amino]quinoline-8-carboxamide (PubChem CID 159201934) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-(hydroxymethyl)-4-[[(1R)-1-(3-methoxyphenyl)butyl]amino]quinoline-8-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-4-[[(1R)-1-(3-methoxyphenyl)butyl]amino]quinoline-8-carboxamide
PubChem CID159201934
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name3-(hydroxymethyl)-4-[[(1R)-1-(3-methoxyphenyl)butyl]amino]quinoline-8-carboxamide
SMILESCCC[C@@H](Nc1c(CO)cnc2c(C(N)=O)cccc12)c1cccc(OC)c1
InChIInChI=1S/C22H25N3O3/c1-3-6-19(14-7-4-8-16(11-14)28-2)25-20-15(13-26)12-24-21-17(20)9-5-10-18(21)22(23)27/h4-5,7-12,19,26H,3,6,13H2,1-2H3,(H2,23,27)(H,24,25)/t19-/m1/s1
InChIKeyKPKAHCZQILFBCL-LJQANCHMSA-N
XLogP3.79
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-4-[[1-(3-methoxyphenyl)-2-(methylamino)ethyl]amino]quinoline-8-carboxamide
CID 77408250
4-[[(1R)-1-(3,4-dimethoxyphenyl)butyl]amino]-3-(methoxymethyl)quinoline-8-carboxamide
CID 149350224
4-[[(1R)-1-(3-chlorophenyl)butyl]amino]-6-methoxyquinazoline-8-carboxamide
CID 158319188
N-[1-(3-methoxyphenyl)butyl]naphthalen-1-amine
CID 70057339
4-[[1-(3-aminophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide
CID 66763260
4-[[4-hydroxy-1-[3-[(4-methoxybenzoyl)amino]phenyl]butyl]amino]quinazoline-8-carboxamide
CID 66763084
2-ethyl-4-[[(1R)-1-(3-fluorophenyl)butyl]amino]quinazoline-8-carboxamide
CID 158229155
1-(3-methoxyphenyl)-N-propylbutan-1-amine
CID 60797906
4-[[1-[3-[(2,3-difluorobenzoyl)amino]phenyl]-3-methoxypropyl]amino]quinazoline-8-carboxamide
CID 66763379
2-[(1R)-1-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 68727161
4-[[2-amino-1-(3,4-dimethoxyphenyl)ethyl]amino]quinazoline-8-carboxamide
CID 46869252
3-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methylbenzamide
CID 140555968

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-4-[[(1R)-1-(3-methoxyphenyl)butyl]amino]quinoline-8-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-4-[[(1R)-1-(3-methoxyphenyl)butyl]amino]quinoline-8-carboxamide (CID 159201934) is 3-(hydroxymethyl)-4-[[(1R)-1-(3-methoxyphenyl)butyl]amino]quinoline-8-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-4-[[(1R)-1-(3-methoxyphenyl)butyl]amino]quinoline-8-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-4-[[(1R)-1-(3-methoxyphenyl)butyl]amino]quinoline-8-carboxamide is CCC[C@@H](Nc1c(CO)cnc2c(C(N)=O)cccc12)c1cccc(OC)c1.
What is the InChIKey of 3-(hydroxymethyl)-4-[[(1R)-1-(3-methoxyphenyl)butyl]amino]quinoline-8-carboxamide?
The InChIKey is KPKAHCZQILFBCL-LJQANCHMSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-3-6-19(14-7-4-8-16(11-14)28-2)25-20-15(13-26)12-24-21-17(20)9-5-10-18(21)22(23)27/h4-5,7-12,19,26H,3,6,13H2,1-2H3,(H2,23,27)(H,24,25)/t19-/m1/s1.
What are the key properties of 3-(hydroxymethyl)-4-[[(1R)-1-(3-methoxyphenyl)butyl]amino]quinoline-8-carboxamide?
3-(hydroxymethyl)-4-[[(1R)-1-(3-methoxyphenyl)butyl]amino]quinoline-8-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.79, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-4-[[(1R)-1-(3-methoxyphenyl)butyl]amino]quinoline-8-carboxamide is sourced from PubChem (CID 159201934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).