(2S)-2-(quinoline-6-carbonylamino)butanediamide

C14H14N4O3 — CID 70062244

IUPAC(2S)-2-(quinoline-6-carbonylamino)butanediamide
SMILESNC(=O)C[C@H](NC(=O)c1ccc2ncccc2c1)C(N)=O
InChIInChI=1S/C14H14N4O3/c15-12(19)7-11(13(16)20)18-14(21)9-3-4-10-8(6-9)2-1-5-17-10/h1-6,11H,7H2,(H2,15,19)(H2,16,20)(H,18,21)/t11-/m0/s1
InChIKeyZXTMLZFWVZAMBJ-NSHDSACASA-N
MW286.29 g/mol
LogP-0.31
Rot. Bonds5

About (2S)-2-(quinoline-6-carbonylamino)butanediamide

(2S)-2-(quinoline-6-carbonylamino)butanediamide (PubChem CID 70062244) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is (2S)-2-(quinoline-6-carbonylamino)butanediamide.

Molecular Properties

Compound Name(2S)-2-(quinoline-6-carbonylamino)butanediamide
PubChem CID70062244
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name(2S)-2-(quinoline-6-carbonylamino)butanediamide
SMILESNC(=O)C[C@H](NC(=O)c1ccc2ncccc2c1)C(N)=O
InChIInChI=1S/C14H14N4O3/c15-12(19)7-11(13(16)20)18-14(21)9-3-4-10-8(6-9)2-1-5-17-10/h1-6,11H,7H2,(H2,15,19)(H2,16,20)(H,18,21)/t11-/m0/s1
InChIKeyZXTMLZFWVZAMBJ-NSHDSACASA-N
XLogP-0.31
TPSA128.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(quinoline-6-carbonylamino)butanediamide?
The IUPAC name of (2S)-2-(quinoline-6-carbonylamino)butanediamide (CID 70062244) is (2S)-2-(quinoline-6-carbonylamino)butanediamide.
What is the SMILES notation for (2S)-2-(quinoline-6-carbonylamino)butanediamide?
The canonical SMILES for (2S)-2-(quinoline-6-carbonylamino)butanediamide is NC(=O)C[C@H](NC(=O)c1ccc2ncccc2c1)C(N)=O.
What is the InChIKey of (2S)-2-(quinoline-6-carbonylamino)butanediamide?
The InChIKey is ZXTMLZFWVZAMBJ-NSHDSACASA-N. The full InChI is InChI=1S/C14H14N4O3/c15-12(19)7-11(13(16)20)18-14(21)9-3-4-10-8(6-9)2-1-5-17-10/h1-6,11H,7H2,(H2,15,19)(H2,16,20)(H,18,21)/t11-/m0/s1.
What are the key properties of (2S)-2-(quinoline-6-carbonylamino)butanediamide?
(2S)-2-(quinoline-6-carbonylamino)butanediamide has a molecular weight of 286.29 g/mol, XLogP of -0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(quinoline-6-carbonylamino)butanediamide is sourced from PubChem (CID 70062244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).