4-ethyl-N-[4-(prop-1-en-2-ylamino)phenyl]quinoline-2-carboxamide

C21H21N3O — CID 143052135

IUPAC4-ethyl-N-[4-(prop-1-en-2-ylamino)phenyl]quinoline-2-carboxamide
SMILESC=C(C)Nc1ccc(NC(=O)c2cc(CC)c3ccccc3n2)cc1
InChIInChI=1S/C21H21N3O/c1-4-15-13-20(24-19-8-6-5-7-18(15)19)21(25)23-17-11-9-16(10-12-17)22-14(2)3/h5-13,22H,2,4H2,1,3H3,(H,23,25)
InChIKeyFPPGFNYHNNYMMZ-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.99
Rot. Bonds5

About 4-ethyl-N-[4-(prop-1-en-2-ylamino)phenyl]quinoline-2-carboxamide

4-ethyl-N-[4-(prop-1-en-2-ylamino)phenyl]quinoline-2-carboxamide (PubChem CID 143052135) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-ethyl-N-[4-(prop-1-en-2-ylamino)phenyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[4-(prop-1-en-2-ylamino)phenyl]quinoline-2-carboxamide
PubChem CID143052135
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name4-ethyl-N-[4-(prop-1-en-2-ylamino)phenyl]quinoline-2-carboxamide
SMILESC=C(C)Nc1ccc(NC(=O)c2cc(CC)c3ccccc3n2)cc1
InChIInChI=1S/C21H21N3O/c1-4-15-13-20(24-19-8-6-5-7-18(15)19)21(25)23-17-11-9-16(10-12-17)22-14(2)3/h5-13,22H,2,4H2,1,3H3,(H,23,25)
InChIKeyFPPGFNYHNNYMMZ-UHFFFAOYSA-N
XLogP4.99
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[4-(prop-1-en-2-ylamino)phenyl]quinoline-2-carboxamide?
The IUPAC name of 4-ethyl-N-[4-(prop-1-en-2-ylamino)phenyl]quinoline-2-carboxamide (CID 143052135) is 4-ethyl-N-[4-(prop-1-en-2-ylamino)phenyl]quinoline-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-[4-(prop-1-en-2-ylamino)phenyl]quinoline-2-carboxamide?
The canonical SMILES for 4-ethyl-N-[4-(prop-1-en-2-ylamino)phenyl]quinoline-2-carboxamide is C=C(C)Nc1ccc(NC(=O)c2cc(CC)c3ccccc3n2)cc1.
What is the InChIKey of 4-ethyl-N-[4-(prop-1-en-2-ylamino)phenyl]quinoline-2-carboxamide?
The InChIKey is FPPGFNYHNNYMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-4-15-13-20(24-19-8-6-5-7-18(15)19)21(25)23-17-11-9-16(10-12-17)22-14(2)3/h5-13,22H,2,4H2,1,3H3,(H,23,25).
What are the key properties of 4-ethyl-N-[4-(prop-1-en-2-ylamino)phenyl]quinoline-2-carboxamide?
4-ethyl-N-[4-(prop-1-en-2-ylamino)phenyl]quinoline-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[4-(prop-1-en-2-ylamino)phenyl]quinoline-2-carboxamide is sourced from PubChem (CID 143052135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).