N-(4-ethyl-2-pyridinyl)-4-[7-methoxy-6-(prop-2-enoylamino)quinolin-4-yl]oxybenzamide

C27H24N4O4 — CID 121273694

IUPACN-(4-ethyl-2-pyridinyl)-4-[7-methoxy-6-(prop-2-enoylamino)quinolin-4-yl]oxybenzamide
SMILESC=CC(=O)Nc1cc2c(Oc3ccc(C(=O)Nc4cc(CC)ccn4)cc3)ccnc2cc1OC
InChIInChI=1S/C27H24N4O4/c1-4-17-10-12-29-25(14-17)31-27(33)18-6-8-19(9-7-18)35-23-11-13-28-21-16-24(34-3)22(15-20(21)23)30-26(32)5-2/h5-16H,2,4H2,1,3H3,(H,30,32)(H,29,31,33)
InChIKeyNVCSMKQMXTZZEA-UHFFFAOYSA-N
MW468.51 g/mol
LogP5.37
Rot. Bonds8

About N-(4-ethyl-2-pyridinyl)-4-[7-methoxy-6-(prop-2-enoylamino)quinolin-4-yl]oxybenzamide

N-(4-ethyl-2-pyridinyl)-4-[7-methoxy-6-(prop-2-enoylamino)quinolin-4-yl]oxybenzamide (PubChem CID 121273694) has the molecular formula C27H24N4O4 and a molecular weight of 468.51 g/mol. Its IUPAC name is N-(4-ethyl-2-pyridinyl)-4-[7-methoxy-6-(prop-2-enoylamino)quinolin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-(4-ethyl-2-pyridinyl)-4-[7-methoxy-6-(prop-2-enoylamino)quinolin-4-yl]oxybenzamide
PubChem CID121273694
Molecular FormulaC27H24N4O4
Molecular Weight468.51 g/mol
Exact Mass468.18
IUPAC NameN-(4-ethyl-2-pyridinyl)-4-[7-methoxy-6-(prop-2-enoylamino)quinolin-4-yl]oxybenzamide
SMILESC=CC(=O)Nc1cc2c(Oc3ccc(C(=O)Nc4cc(CC)ccn4)cc3)ccnc2cc1OC
InChIInChI=1S/C27H24N4O4/c1-4-17-10-12-29-25(14-17)31-27(33)18-6-8-19(9-7-18)35-23-11-13-28-21-16-24(34-3)22(15-20(21)23)30-26(32)5-2/h5-16H,2,4H2,1,3H3,(H,30,32)(H,29,31,33)
InChIKeyNVCSMKQMXTZZEA-UHFFFAOYSA-N
XLogP5.37
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.51
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(6-aminoquinolin-4-yl)oxy-N-(4-ethyl-2-pyridinyl)benzamide
CID 121273481
4-[7-[(2S)-2,3-dihydroxypropoxy]-6-(prop-2-enoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
CID 121280748
methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate
CID 22132633
4-[6-[[(E)-4-(dimethylamino)but-2-enoyl]amino]quinolin-4-yl]oxy-N-(4-methoxy-2-pyridinyl)benzamide
CID 145059750
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridine-3-carboxamide
CID 22132777
1-(2,5-dimethoxyphenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 22132728
4-[6-(but-2-ynoylamino)-7-(1-methylpyrrolidin-3-yl)oxyquinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
CID 145059730
N-(2,5-dimethoxyphenyl)prop-2-enamide
CID 881958
2-(3,4-dimethoxyphenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 152648895
N-(4-propyl-2-pyridinyl)prop-2-enamide
CID 176981976

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-2-pyridinyl)-4-[7-methoxy-6-(prop-2-enoylamino)quinolin-4-yl]oxybenzamide?
The IUPAC name of N-(4-ethyl-2-pyridinyl)-4-[7-methoxy-6-(prop-2-enoylamino)quinolin-4-yl]oxybenzamide (CID 121273694) is N-(4-ethyl-2-pyridinyl)-4-[7-methoxy-6-(prop-2-enoylamino)quinolin-4-yl]oxybenzamide.
What is the SMILES notation for N-(4-ethyl-2-pyridinyl)-4-[7-methoxy-6-(prop-2-enoylamino)quinolin-4-yl]oxybenzamide?
The canonical SMILES for N-(4-ethyl-2-pyridinyl)-4-[7-methoxy-6-(prop-2-enoylamino)quinolin-4-yl]oxybenzamide is C=CC(=O)Nc1cc2c(Oc3ccc(C(=O)Nc4cc(CC)ccn4)cc3)ccnc2cc1OC.
What is the InChIKey of N-(4-ethyl-2-pyridinyl)-4-[7-methoxy-6-(prop-2-enoylamino)quinolin-4-yl]oxybenzamide?
The InChIKey is NVCSMKQMXTZZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O4/c1-4-17-10-12-29-25(14-17)31-27(33)18-6-8-19(9-7-18)35-23-11-13-28-21-16-24(34-3)22(15-20(21)23)30-26(32)5-2/h5-16H,2,4H2,1,3H3,(H,30,32)(H,29,31,33).
What are the key properties of N-(4-ethyl-2-pyridinyl)-4-[7-methoxy-6-(prop-2-enoylamino)quinolin-4-yl]oxybenzamide?
N-(4-ethyl-2-pyridinyl)-4-[7-methoxy-6-(prop-2-enoylamino)quinolin-4-yl]oxybenzamide has a molecular weight of 468.51 g/mol, XLogP of 5.37, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-2-pyridinyl)-4-[7-methoxy-6-(prop-2-enoylamino)quinolin-4-yl]oxybenzamide is sourced from PubChem (CID 121273694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).