N-[3-(dimethylamino)propyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide

C21H27N5O — CID 19512118

IUPACN-[3-(dimethylamino)propyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCCn1ncc(-c2cc(C(=O)NCCCN(C)C)c3ccccc3n2)c1C
InChIInChI=1S/C21H27N5O/c1-5-26-15(2)18(14-23-26)20-13-17(16-9-6-7-10-19(16)24-20)21(27)22-11-8-12-25(3)4/h6-7,9-10,13-14H,5,8,11-12H2,1-4H3,(H,22,27)
InChIKeyMVTMNHAEJDNFAD-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.11
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide

N-[3-(dimethylamino)propyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide (PubChem CID 19512118) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
PubChem CID19512118
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC NameN-[3-(dimethylamino)propyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCCn1ncc(-c2cc(C(=O)NCCCN(C)C)c3ccccc3n2)c1C
InChIInChI=1S/C21H27N5O/c1-5-26-15(2)18(14-23-26)20-13-17(16-9-6-7-10-19(16)24-20)21(27)22-11-8-12-25(3)4/h6-7,9-10,13-14H,5,8,11-12H2,1-4H3,(H,22,27)
InChIKeyMVTMNHAEJDNFAD-UHFFFAOYSA-N
XLogP3.11
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 19512079
2-(1-ethyl-5-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide
CID 19512119
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512202
2-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]quinoline-4-carboxamide
CID 19512183
2-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 19512084
N-(2,6-dimethylphenyl)-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512043
2-(1,5-dimethylpyrazol-4-yl)-N-octadecylquinoline-4-carboxamide
CID 19512342
N-[3-(dimethylamino)propyl]-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 3471977
N-[1-(dipentylamino)propan-2-yl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512121
2-(1-ethyl-5-methylpyrazol-4-yl)-N-(3-hydroxyphenyl)quinoline-4-carboxamide
CID 19512303
N-(2,3-dimethylphenyl)-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512000
2-(1,5-dimethylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoline-4-carboxamide
CID 19512593

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide (CID 19512118) is N-[3-(dimethylamino)propyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide is CCn1ncc(-c2cc(C(=O)NCCCN(C)C)c3ccccc3n2)c1C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide?
The InChIKey is MVTMNHAEJDNFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-5-26-15(2)18(14-23-26)20-13-17(16-9-6-7-10-19(16)24-20)21(27)22-11-8-12-25(3)4/h6-7,9-10,13-14H,5,8,11-12H2,1-4H3,(H,22,27).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide?
N-[3-(dimethylamino)propyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 19512118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).