N-[6-(2-carbamoylphenoxy)-3-pyridinyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide

C25H22N4O4 — CID 154881504

IUPACN-[6-(2-carbamoylphenoxy)-3-pyridinyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESC=CC(=O)N1CCCc2cc(C(=O)Nc3ccc(Oc4ccccc4C(N)=O)nc3)ccc21
InChIInChI=1S/C25H22N4O4/c1-2-23(30)29-13-5-6-16-14-17(9-11-20(16)29)25(32)28-18-10-12-22(27-15-18)33-21-8-4-3-7-19(21)24(26)31/h2-4,7-12,14-15H,1,5-6,13H2,(H2,26,31)(H,28,32)
InChIKeyHUGHUFBGHNDLQM-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.69
Rot. Bonds6

About N-[6-(2-carbamoylphenoxy)-3-pyridinyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide

N-[6-(2-carbamoylphenoxy)-3-pyridinyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 154881504) has the molecular formula C25H22N4O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is N-[6-(2-carbamoylphenoxy)-3-pyridinyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[6-(2-carbamoylphenoxy)-3-pyridinyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID154881504
Molecular FormulaC25H22N4O4
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC NameN-[6-(2-carbamoylphenoxy)-3-pyridinyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESC=CC(=O)N1CCCc2cc(C(=O)Nc3ccc(Oc4ccccc4C(N)=O)nc3)ccc21
InChIInChI=1S/C25H22N4O4/c1-2-23(30)29-13-5-6-16-14-17(9-11-20(16)29)25(32)28-18-10-12-22(27-15-18)33-21-8-4-3-7-19(21)24(26)31/h2-4,7-12,14-15H,1,5-6,13H2,(H2,26,31)(H,28,32)
InChIKeyHUGHUFBGHNDLQM-UHFFFAOYSA-N
XLogP3.69
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylsulfinylphenyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413269
1-phenyl-3-[(1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]urea
CID 166413301
N-(3-chloro-4-methylsulfonylphenyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 167925841
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413321
N-(2,4-difluoro-5-hydroxyphenyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413158
N'-(1-methyl-6-oxopyridine-3-carbonyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbohydrazide
CID 166413315
1-prop-2-enoyl-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413228
N-(2-ethyl-2-phenylbutyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413233
N-(2,2-dimethyl-1,1-dioxothietan-3-yl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413254
N-(8-methoxy-3,4-dihydro-2H-chromen-4-yl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413366
N-(6-amino-3-pyridinyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 119515394
N-[2-(1-methylpyrazol-3-yl)propan-2-yl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413252

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-carbamoylphenoxy)-3-pyridinyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of N-[6-(2-carbamoylphenoxy)-3-pyridinyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide (CID 154881504) is N-[6-(2-carbamoylphenoxy)-3-pyridinyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for N-[6-(2-carbamoylphenoxy)-3-pyridinyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for N-[6-(2-carbamoylphenoxy)-3-pyridinyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide is C=CC(=O)N1CCCc2cc(C(=O)Nc3ccc(Oc4ccccc4C(N)=O)nc3)ccc21.
What is the InChIKey of N-[6-(2-carbamoylphenoxy)-3-pyridinyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is HUGHUFBGHNDLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4/c1-2-23(30)29-13-5-6-16-14-17(9-11-20(16)29)25(32)28-18-10-12-22(27-15-18)33-21-8-4-3-7-19(21)24(26)31/h2-4,7-12,14-15H,1,5-6,13H2,(H2,26,31)(H,28,32).
What are the key properties of N-[6-(2-carbamoylphenoxy)-3-pyridinyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide?
N-[6-(2-carbamoylphenoxy)-3-pyridinyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 442.48 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-carbamoylphenoxy)-3-pyridinyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 154881504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).