3-methyl-N-[4-(quinolin-8-ylamino)phenyl]butanamide

C20H21N3O — CID 112989286

IUPAC3-methyl-N-[4-(quinolin-8-ylamino)phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(Nc2cccc3cccnc23)cc1
InChIInChI=1S/C20H21N3O/c1-14(2)13-19(24)23-17-10-8-16(9-11-17)22-18-7-3-5-15-6-4-12-21-20(15)18/h3-12,14,22H,13H2,1-2H3,(H,23,24)
InChIKeyRFWKURZQWISPPV-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.96
Rot. Bonds5

About 3-methyl-N-[4-(quinolin-8-ylamino)phenyl]butanamide

3-methyl-N-[4-(quinolin-8-ylamino)phenyl]butanamide (PubChem CID 112989286) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-methyl-N-[4-(quinolin-8-ylamino)phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-(quinolin-8-ylamino)phenyl]butanamide
PubChem CID112989286
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name3-methyl-N-[4-(quinolin-8-ylamino)phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(Nc2cccc3cccnc23)cc1
InChIInChI=1S/C20H21N3O/c1-14(2)13-19(24)23-17-10-8-16(9-11-17)22-18-7-3-5-15-6-4-12-21-20(15)18/h3-12,14,22H,13H2,1-2H3,(H,23,24)
InChIKeyRFWKURZQWISPPV-UHFFFAOYSA-N
XLogP4.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[4-(quinolin-8-ylamino)phenyl]carbamate
CID 112989327
2-(4-methoxyphenyl)-N-[4-(quinolin-8-ylamino)phenyl]acetamide
CID 112989310
N-(4-tert-butylphenyl)-N'-quinolin-8-ylpropanediamide
CID 108954735
N-[6-(quinolin-8-ylamino)-3-pyridinyl]propanamide
CID 113021717
N-[4-(quinolin-8-ylamino)phenyl]pyridine-3-carboxamide
CID 112989314
N-(4-tert-butylphenyl)-2-(quinolin-8-ylamino)acetamide
CID 109008347
N-[4-(quinolin-8-ylamino)phenyl]furan-2-carboxamide
CID 112989291
methyl 4-[[3-oxo-3-(quinolin-8-ylamino)propanoyl]amino]benzoate
CID 108956372
N-[4-[[6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866755
(3R)-3-methyl-4-phenyl-N-quinolin-8-ylbutanamide
CID 122231949
N-hydroxy-N'-[4-[2-hydroxy-1,3-dioxo-1,3-bis(quinolin-8-ylamino)propan-2-yl]phenyl]-3,5-dimethylheptanediamide
CID 88890912
N-(2-methylpropyl)-N'-quinolin-8-yloxamide
CID 47225581

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(quinolin-8-ylamino)phenyl]butanamide?
The IUPAC name of 3-methyl-N-[4-(quinolin-8-ylamino)phenyl]butanamide (CID 112989286) is 3-methyl-N-[4-(quinolin-8-ylamino)phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-(quinolin-8-ylamino)phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-(quinolin-8-ylamino)phenyl]butanamide is CC(C)CC(=O)Nc1ccc(Nc2cccc3cccnc23)cc1.
What is the InChIKey of 3-methyl-N-[4-(quinolin-8-ylamino)phenyl]butanamide?
The InChIKey is RFWKURZQWISPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14(2)13-19(24)23-17-10-8-16(9-11-17)22-18-7-3-5-15-6-4-12-21-20(15)18/h3-12,14,22H,13H2,1-2H3,(H,23,24).
What are the key properties of 3-methyl-N-[4-(quinolin-8-ylamino)phenyl]butanamide?
3-methyl-N-[4-(quinolin-8-ylamino)phenyl]butanamide has a molecular weight of 319.41 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(quinolin-8-ylamino)phenyl]butanamide is sourced from PubChem (CID 112989286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).