2-chloro-N-propan-2-yl-5,6,7,8-tetrahydroquinoline-4-carboxamide

C13H17ClN2O — CID 15270209

IUPAC2-chloro-N-propan-2-yl-5,6,7,8-tetrahydroquinoline-4-carboxamide
SMILESCC(C)NC(=O)c1cc(Cl)nc2c1CCCC2
InChIInChI=1S/C13H17ClN2O/c1-8(2)15-13(17)10-7-12(14)16-11-6-4-3-5-9(10)11/h7-8H,3-6H2,1-2H3,(H,15,17)
InChIKeyDMKWZADNVXJKJD-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.75
Rot. Bonds2

About 2-chloro-N-propan-2-yl-5,6,7,8-tetrahydroquinoline-4-carboxamide

2-chloro-N-propan-2-yl-5,6,7,8-tetrahydroquinoline-4-carboxamide (PubChem CID 15270209) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-chloro-N-propan-2-yl-5,6,7,8-tetrahydroquinoline-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-propan-2-yl-5,6,7,8-tetrahydroquinoline-4-carboxamide
PubChem CID15270209
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name2-chloro-N-propan-2-yl-5,6,7,8-tetrahydroquinoline-4-carboxamide
SMILESCC(C)NC(=O)c1cc(Cl)nc2c1CCCC2
InChIInChI=1S/C13H17ClN2O/c1-8(2)15-13(17)10-7-12(14)16-11-6-4-3-5-9(10)11/h7-8H,3-6H2,1-2H3,(H,15,17)
InChIKeyDMKWZADNVXJKJD-UHFFFAOYSA-N
XLogP2.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-propan-2-yl-5,6,7,8-tetrahydroquinoline-4-carboxamide?
The IUPAC name of 2-chloro-N-propan-2-yl-5,6,7,8-tetrahydroquinoline-4-carboxamide (CID 15270209) is 2-chloro-N-propan-2-yl-5,6,7,8-tetrahydroquinoline-4-carboxamide.
What is the SMILES notation for 2-chloro-N-propan-2-yl-5,6,7,8-tetrahydroquinoline-4-carboxamide?
The canonical SMILES for 2-chloro-N-propan-2-yl-5,6,7,8-tetrahydroquinoline-4-carboxamide is CC(C)NC(=O)c1cc(Cl)nc2c1CCCC2.
What is the InChIKey of 2-chloro-N-propan-2-yl-5,6,7,8-tetrahydroquinoline-4-carboxamide?
The InChIKey is DMKWZADNVXJKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-8(2)15-13(17)10-7-12(14)16-11-6-4-3-5-9(10)11/h7-8H,3-6H2,1-2H3,(H,15,17).
What are the key properties of 2-chloro-N-propan-2-yl-5,6,7,8-tetrahydroquinoline-4-carboxamide?
2-chloro-N-propan-2-yl-5,6,7,8-tetrahydroquinoline-4-carboxamide has a molecular weight of 252.74 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-propan-2-yl-5,6,7,8-tetrahydroquinoline-4-carboxamide is sourced from PubChem (CID 15270209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).