N-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-4-(1,2,4-triazol-1-yl)butanamide

C15H19N5O2 — CID 94555730

IUPACN-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESO=C(CCCn1cncn1)N[C@@H]1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C15H19N5O2/c21-14(5-2-8-20-10-16-9-17-20)18-12-3-1-4-13-11(12)6-7-15(22)19-13/h6-7,9-10,12H,1-5,8H2,(H,18,21)(H,19,22)/t12-/m1/s1
InChIKeyIBZQEMCBWOVQLY-GFCCVEGCSA-N
MW301.35 g/mol
LogP0.94
Rot. Bonds5

About N-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-4-(1,2,4-triazol-1-yl)butanamide

N-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-4-(1,2,4-triazol-1-yl)butanamide (PubChem CID 94555730) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-4-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-4-(1,2,4-triazol-1-yl)butanamide
PubChem CID94555730
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESO=C(CCCn1cncn1)N[C@@H]1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C15H19N5O2/c21-14(5-2-8-20-10-16-9-17-20)18-12-3-1-4-13-11(12)6-7-15(22)19-13/h6-7,9-10,12H,1-5,8H2,(H,18,21)(H,19,22)/t12-/m1/s1
InChIKeyIBZQEMCBWOVQLY-GFCCVEGCSA-N
XLogP0.94
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-4-(1,2,4-triazol-1-yl)butanamide with MolForge

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Related Compounds

N-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-4-(1,2,4-triazol-1-yl)butanamide
CID 94555731
N-(1-hydroxy-2-oxopiperidin-3-yl)-4-(1,2,4-triazol-1-yl)butanamide
CID 155937779
3,3-dicyclopropyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)propanamide
CID 48591784
2-(2,3-dihydro-1H-inden-5-yl)-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)acetamide
CID 56811120
N-[(1S,2S)-2-hydroxycyclooctyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 154565061
N-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 95596132
N-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 42473455
2-methyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 139008161
N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-4-(1,2,4-triazol-1-yl)butanamide
CID 131913662
5-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 22890957
N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 110127909
4-pyrazol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 94821272

Frequently Asked Questions

What is the IUPAC name of N-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-4-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-4-(1,2,4-triazol-1-yl)butanamide (CID 94555730) is N-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-4-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-4-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-4-(1,2,4-triazol-1-yl)butanamide is O=C(CCCn1cncn1)N[C@@H]1CCCc2[nH]c(=O)ccc21.
What is the InChIKey of N-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-4-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is IBZQEMCBWOVQLY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N5O2/c21-14(5-2-8-20-10-16-9-17-20)18-12-3-1-4-13-11(12)6-7-15(22)19-13/h6-7,9-10,12H,1-5,8H2,(H,18,21)(H,19,22)/t12-/m1/s1.
What are the key properties of N-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-4-(1,2,4-triazol-1-yl)butanamide?
N-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-4-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 301.35 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-4-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 94555730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).