(3R)-N-methyl-3-[methyl-[(8-methylquinolin-5-yl)carbamoyl]amino]butanamide

C17H22N4O2 — CID 126443663

IUPAC(3R)-N-methyl-3-[methyl-[(8-methylquinolin-5-yl)carbamoyl]amino]butanamide
SMILESCNC(=O)C[C@@H](C)N(C)C(=O)Nc1ccc(C)c2ncccc12
InChIInChI=1S/C17H22N4O2/c1-11-7-8-14(13-6-5-9-19-16(11)13)20-17(23)21(4)12(2)10-15(22)18-3/h5-9,12H,10H2,1-4H3,(H,18,22)(H,20,23)/t12-/m1/s1
InChIKeyNGHSTHGMEGRBLN-GFCCVEGCSA-N
MW314.39 g/mol
LogP2.53
Rot. Bonds4

About (3R)-N-methyl-3-[methyl-[(8-methylquinolin-5-yl)carbamoyl]amino]butanamide

(3R)-N-methyl-3-[methyl-[(8-methylquinolin-5-yl)carbamoyl]amino]butanamide (PubChem CID 126443663) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (3R)-N-methyl-3-[methyl-[(8-methylquinolin-5-yl)carbamoyl]amino]butanamide.

Molecular Properties

Compound Name(3R)-N-methyl-3-[methyl-[(8-methylquinolin-5-yl)carbamoyl]amino]butanamide
PubChem CID126443663
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(3R)-N-methyl-3-[methyl-[(8-methylquinolin-5-yl)carbamoyl]amino]butanamide
SMILESCNC(=O)C[C@@H](C)N(C)C(=O)Nc1ccc(C)c2ncccc12
InChIInChI=1S/C17H22N4O2/c1-11-7-8-14(13-6-5-9-19-16(11)13)20-17(23)21(4)12(2)10-15(22)18-3/h5-9,12H,10H2,1-4H3,(H,18,22)(H,20,23)/t12-/m1/s1
InChIKeyNGHSTHGMEGRBLN-GFCCVEGCSA-N
XLogP2.53
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylamino)-N-(8-methylquinolin-5-yl)butanamide
CID 62837223
N-(8-methylquinolin-5-yl)-2-propan-2-yloxyacetamide
CID 47418219
2-methyl-N-[2-[(8-methylquinolin-5-yl)carbamoylamino]ethyl]propanamide
CID 47033502
(2R)-N-(8-methylquinolin-5-yl)-2-propylsulfonylpropanamide
CID 94669801
2-[(2-methylpropan-2-yl)oxy]-N-(8-methylquinolin-5-yl)acetamide
CID 115949975
1-(8-methylquinolin-5-yl)-3-[(1S)-1-phenylethyl]urea
CID 51945829
N-(8-methoxyquinolin-5-yl)-3-methylbutanamide
CID 26823099
N-(8-methylquinolin-5-yl)-2-naphthalen-2-ylacetamide
CID 38280575
2-(3,5-dimethylphenoxy)-N-(8-methylquinolin-5-yl)acetamide
CID 38277487
2,4,6-trimethyl-N-(8-methylquinolin-5-yl)benzamide
CID 112812579
3-(3,5-dimethoxyphenyl)-N-(8-methylquinolin-5-yl)propanamide
CID 38267727
4-amino-5-[(8-methylquinolin-5-yl)amino]-5-oxopentanoic acid
CID 64895232

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-3-[methyl-[(8-methylquinolin-5-yl)carbamoyl]amino]butanamide?
The IUPAC name of (3R)-N-methyl-3-[methyl-[(8-methylquinolin-5-yl)carbamoyl]amino]butanamide (CID 126443663) is (3R)-N-methyl-3-[methyl-[(8-methylquinolin-5-yl)carbamoyl]amino]butanamide.
What is the SMILES notation for (3R)-N-methyl-3-[methyl-[(8-methylquinolin-5-yl)carbamoyl]amino]butanamide?
The canonical SMILES for (3R)-N-methyl-3-[methyl-[(8-methylquinolin-5-yl)carbamoyl]amino]butanamide is CNC(=O)C[C@@H](C)N(C)C(=O)Nc1ccc(C)c2ncccc12.
What is the InChIKey of (3R)-N-methyl-3-[methyl-[(8-methylquinolin-5-yl)carbamoyl]amino]butanamide?
The InChIKey is NGHSTHGMEGRBLN-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11-7-8-14(13-6-5-9-19-16(11)13)20-17(23)21(4)12(2)10-15(22)18-3/h5-9,12H,10H2,1-4H3,(H,18,22)(H,20,23)/t12-/m1/s1.
What are the key properties of (3R)-N-methyl-3-[methyl-[(8-methylquinolin-5-yl)carbamoyl]amino]butanamide?
(3R)-N-methyl-3-[methyl-[(8-methylquinolin-5-yl)carbamoyl]amino]butanamide has a molecular weight of 314.39 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-3-[methyl-[(8-methylquinolin-5-yl)carbamoyl]amino]butanamide is sourced from PubChem (CID 126443663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).