N-[(2S)-4-[(2-cyclopropylfuran-3-carbonyl)amino]butan-2-yl]-4-methylquinoline-6-carboxamide

C23H25N3O3 — CID 167755112

IUPACN-[(2S)-4-[(2-cyclopropylfuran-3-carbonyl)amino]butan-2-yl]-4-methylquinoline-6-carboxamide
SMILESCc1ccnc2ccc(C(=O)N[C@@H](C)CCNC(=O)c3ccoc3C3CC3)cc12
InChIInChI=1S/C23H25N3O3/c1-14-7-10-24-20-6-5-17(13-19(14)20)22(27)26-15(2)8-11-25-23(28)18-9-12-29-21(18)16-3-4-16/h5-7,9-10,12-13,15-16H,3-4,8,11H2,1-2H3,(H,25,28)(H,26,27)/t15-/m0/s1
InChIKeyGCWRAEFBQNCZCX-HNNXBMFYSA-N
MW391.47 g/mol
LogP3.95
Rot. Bonds7

About N-[(2S)-4-[(2-cyclopropylfuran-3-carbonyl)amino]butan-2-yl]-4-methylquinoline-6-carboxamide

N-[(2S)-4-[(2-cyclopropylfuran-3-carbonyl)amino]butan-2-yl]-4-methylquinoline-6-carboxamide (PubChem CID 167755112) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[(2S)-4-[(2-cyclopropylfuran-3-carbonyl)amino]butan-2-yl]-4-methylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4-[(2-cyclopropylfuran-3-carbonyl)amino]butan-2-yl]-4-methylquinoline-6-carboxamide
PubChem CID167755112
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[(2S)-4-[(2-cyclopropylfuran-3-carbonyl)amino]butan-2-yl]-4-methylquinoline-6-carboxamide
SMILESCc1ccnc2ccc(C(=O)N[C@@H](C)CCNC(=O)c3ccoc3C3CC3)cc12
InChIInChI=1S/C23H25N3O3/c1-14-7-10-24-20-6-5-17(13-19(14)20)22(27)26-15(2)8-11-25-23(28)18-9-12-29-21(18)16-3-4-16/h5-7,9-10,12-13,15-16H,3-4,8,11H2,1-2H3,(H,25,28)(H,26,27)/t15-/m0/s1
InChIKeyGCWRAEFBQNCZCX-HNNXBMFYSA-N
XLogP3.95
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-[(2-cyclopropylfuran-3-carbonyl)amino]butan-2-yl]-4-methylquinoline-6-carboxamide?
The IUPAC name of N-[(2S)-4-[(2-cyclopropylfuran-3-carbonyl)amino]butan-2-yl]-4-methylquinoline-6-carboxamide (CID 167755112) is N-[(2S)-4-[(2-cyclopropylfuran-3-carbonyl)amino]butan-2-yl]-4-methylquinoline-6-carboxamide.
What is the SMILES notation for N-[(2S)-4-[(2-cyclopropylfuran-3-carbonyl)amino]butan-2-yl]-4-methylquinoline-6-carboxamide?
The canonical SMILES for N-[(2S)-4-[(2-cyclopropylfuran-3-carbonyl)amino]butan-2-yl]-4-methylquinoline-6-carboxamide is Cc1ccnc2ccc(C(=O)N[C@@H](C)CCNC(=O)c3ccoc3C3CC3)cc12.
What is the InChIKey of N-[(2S)-4-[(2-cyclopropylfuran-3-carbonyl)amino]butan-2-yl]-4-methylquinoline-6-carboxamide?
The InChIKey is GCWRAEFBQNCZCX-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-14-7-10-24-20-6-5-17(13-19(14)20)22(27)26-15(2)8-11-25-23(28)18-9-12-29-21(18)16-3-4-16/h5-7,9-10,12-13,15-16H,3-4,8,11H2,1-2H3,(H,25,28)(H,26,27)/t15-/m0/s1.
What are the key properties of N-[(2S)-4-[(2-cyclopropylfuran-3-carbonyl)amino]butan-2-yl]-4-methylquinoline-6-carboxamide?
N-[(2S)-4-[(2-cyclopropylfuran-3-carbonyl)amino]butan-2-yl]-4-methylquinoline-6-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-[(2-cyclopropylfuran-3-carbonyl)amino]butan-2-yl]-4-methylquinoline-6-carboxamide is sourced from PubChem (CID 167755112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).