N-butan-2-yl-4-(ethylamino)quinoline-2-carboxamide

C16H21N3O — CID 63377555

IUPACN-butan-2-yl-4-(ethylamino)quinoline-2-carboxamide
SMILESCCNc1cc(C(=O)NC(C)CC)nc2ccccc12
InChIInChI=1S/C16H21N3O/c1-4-11(3)18-16(20)15-10-14(17-5-2)12-8-6-7-9-13(12)19-15/h6-11H,4-5H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyHVRYRQKEEXZVRE-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.19
Rot. Bonds5

About N-butan-2-yl-4-(ethylamino)quinoline-2-carboxamide

N-butan-2-yl-4-(ethylamino)quinoline-2-carboxamide (PubChem CID 63377555) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-butan-2-yl-4-(ethylamino)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(ethylamino)quinoline-2-carboxamide
PubChem CID63377555
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-butan-2-yl-4-(ethylamino)quinoline-2-carboxamide
SMILESCCNc1cc(C(=O)NC(C)CC)nc2ccccc12
InChIInChI=1S/C16H21N3O/c1-4-11(3)18-16(20)15-10-14(17-5-2)12-8-6-7-9-13(12)19-15/h6-11H,4-5H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyHVRYRQKEEXZVRE-UHFFFAOYSA-N
XLogP3.19
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide
CID 63963158
N-[1-(dimethylamino)propan-2-yl]-4-(methylamino)quinoline-2-carboxamide
CID 82940781
4-[2-(dimethylamino)propylamino]quinoline-2-carboxylic acid
CID 63377739
N-(2-ethoxyethyl)-4-(ethylamino)quinoline-2-carboxamide
CID 63377460
4-hydrazinyl-N-propan-2-ylquinoline-2-carboxamide
CID 63375107
N-hexan-3-yl-4-hydrazinylquinoline-2-carboxamide
CID 63375019
4-(2,2-dimethylbutylamino)quinoline-2-carboxylic acid
CID 103462060
4-amino-N-(4-methylpentan-2-yl)quinoline-2-carboxamide
CID 63375215
4-amino-N-(4-methylsulfanylbutan-2-yl)quinoline-2-carboxamide
CID 115751987
4-amino-N-(4-amino-4-oxobutan-2-yl)quinoline-2-carboxamide
CID 115751990
N-butan-2-yl-1-(2-chlorophenyl)isoquinoline-3-carboxamide
CID 10947695
N-butan-2-yl-1-(2-fluorophenyl)isoquinoline-3-carboxamide
CID 15740682

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(ethylamino)quinoline-2-carboxamide?
The IUPAC name of N-butan-2-yl-4-(ethylamino)quinoline-2-carboxamide (CID 63377555) is N-butan-2-yl-4-(ethylamino)quinoline-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-(ethylamino)quinoline-2-carboxamide?
The canonical SMILES for N-butan-2-yl-4-(ethylamino)quinoline-2-carboxamide is CCNc1cc(C(=O)NC(C)CC)nc2ccccc12.
What is the InChIKey of N-butan-2-yl-4-(ethylamino)quinoline-2-carboxamide?
The InChIKey is HVRYRQKEEXZVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-11(3)18-16(20)15-10-14(17-5-2)12-8-6-7-9-13(12)19-15/h6-11H,4-5H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-butan-2-yl-4-(ethylamino)quinoline-2-carboxamide?
N-butan-2-yl-4-(ethylamino)quinoline-2-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(ethylamino)quinoline-2-carboxamide is sourced from PubChem (CID 63377555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).